USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 373 CYS SG : rot 172:sc= 0.464 USER MOD Set 1.2: A 376 CYS SG : rot 7:sc= 1.21 USER MOD Set 1.3: A 393 CYS SG : rot 109:sc= -20.7! USER MOD Set 1.4: A 396 CYS SG : rot 149:sc= -20! USER MOD Set 2.1: A 388 CYS SG : rot 170:sc= -5.88! USER MOD Set 2.2: A 390 HIS : no HD1:sc= -1.55 K(o=-22,f=-31!) USER MOD Set 2.3: A 392 MET CE :methyl 163:sc= -4.86! (180deg=-5.88!) USER MOD Set 2.4: A 408 CYS SG : rot -171:sc= -6.95! USER MOD Set 2.5: A 411 CYS SG : rot -69:sc= -2.53! USER MOD Set 3.1: A 369 THR OG1 : rot 180:sc= -0.593 USER MOD Set 3.2: A 371 GLN : amide:sc= -11.1! C(o=-12!,f=-15!) USER MOD Set 4.1: A 356 THR OG1 : rot 180:sc= -2.97 USER MOD Set 4.2: A 359 GLN : amide:sc= -3.03 K(o=-6,f=-7.4!) USER MOD Single : A 350 SER OG : rot -84:sc= 1.22 USER MOD Single : A 352 HIS : no HE2:sc= -1.74 X(o=-1.7,f=-2.1) USER MOD Single : A 354 LYS NZ :NH3+ -154:sc= -0.0609 (180deg=-0.479) USER MOD Single : A 357 GLN : amide:sc= -0.865 X(o=-0.87,f=-0.85) USER MOD Single : A 360 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 CYS SG : rot 71:sc= 0.171 USER MOD Single : A 366 MET CE :methyl 149:sc= -0.528 (180deg=-2.76!) USER MOD Single : A 368 SER OG : rot 17:sc= 0.026 USER MOD Single : A 374 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 379 ASN : amide:sc= -0.0132 X(o=-0.013,f=-0.18) USER MOD Single : A 381 LYS NZ :NH3+ 142:sc= -2.04! (180deg=-3.42!) USER MOD Single : A 384 LYS NZ :NH3+ 178:sc= -0.262 (180deg=-0.271) USER MOD Single : A 394 THR OG1 : rot 180:sc= 0.0886 USER MOD Single : A 395 SER OG : rot 180:sc= 0 USER MOD Single : A 398 THR OG1 : rot 180:sc= 0.00779 USER MOD Single : A 401 GLN : amide:sc= -2.26! C(o=-2.3!,f=-4.7!) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 GLN : amide:sc= -0.0195 K(o=-0.02,f=-0.98) USER MOD Single : A 413 CYS SG : rot 180:sc= -0.014 USER MOD Single : A 416 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.301) USER MOD Single : A 418 THR OG1 : rot 43:sc= 0.2 USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 350 -0.329 11.130 -1.584 1.00 74.31 N ATOM 64 CA SER A 350 -0.973 11.637 -0.384 1.00 75.23 C ATOM 65 C SER A 350 -2.380 12.139 -0.718 1.00 21.42 C ATOM 66 O SER A 350 -2.572 12.848 -1.704 1.00 11.21 O ATOM 67 CB SER A 350 -0.148 12.756 0.253 1.00 42.11 C ATOM 68 OG SER A 350 1.049 12.263 0.849 1.00 43.53 O ATOM 0 HA SER A 350 -1.046 10.822 0.336 1.00 75.23 H new ATOM 0 HB2 SER A 350 0.103 13.498 -0.505 1.00 42.11 H new ATOM 0 HB3 SER A 350 -0.747 13.263 1.009 1.00 42.11 H new ATOM 0 HG SER A 350 0.854 11.933 1.751 1.00 43.53 H new ATOM 74 N ASP A 351 -3.327 11.750 0.123 1.00 1.34 N ATOM 75 CA ASP A 351 -4.710 12.152 -0.070 1.00 30.14 C ATOM 76 C ASP A 351 -4.953 13.485 0.641 1.00 53.14 C ATOM 77 O ASP A 351 -4.170 13.887 1.499 1.00 21.05 O ATOM 78 CB ASP A 351 -5.671 11.119 0.522 1.00 71.10 C ATOM 79 CG ASP A 351 -6.036 9.964 -0.414 1.00 5.44 C ATOM 80 OD1 ASP A 351 -7.018 9.243 -0.185 1.00 25.31 O ATOM 81 OD2 ASP A 351 -5.253 9.817 -1.428 1.00 65.02 O ATOM 0 H ASP A 351 -3.164 11.161 0.939 1.00 1.34 H new ATOM 0 HA ASP A 351 -4.889 12.240 -1.142 1.00 30.14 H new ATOM 0 HB2 ASP A 351 -5.225 10.706 1.427 1.00 71.10 H new ATOM 0 HB3 ASP A 351 -6.587 11.627 0.822 1.00 71.10 H new ATOM 87 N HIS A 352 -6.042 14.134 0.256 1.00 74.14 N ATOM 88 CA HIS A 352 -6.399 15.414 0.845 1.00 63.53 C ATOM 89 C HIS A 352 -7.832 15.352 1.376 1.00 11.42 C ATOM 90 O HIS A 352 -8.715 14.792 0.729 1.00 61.24 O ATOM 91 CB HIS A 352 -6.185 16.551 -0.156 1.00 75.44 C ATOM 92 CG HIS A 352 -4.798 17.147 -0.122 1.00 75.02 C ATOM 93 ND1 HIS A 352 -4.202 17.592 1.045 1.00 55.22 N ATOM 94 CD2 HIS A 352 -3.897 17.366 -1.123 1.00 34.45 C ATOM 95 CE1 HIS A 352 -2.998 18.057 0.748 1.00 23.33 C ATOM 96 NE2 HIS A 352 -2.811 17.916 -0.595 1.00 63.15 N ATOM 0 H HIS A 352 -6.689 13.797 -0.457 1.00 74.14 H new ATOM 0 HA HIS A 352 -5.744 15.625 1.691 1.00 63.53 H new ATOM 0 HB2 HIS A 352 -6.385 16.179 -1.161 1.00 75.44 H new ATOM 0 HB3 HIS A 352 -6.912 17.338 0.043 1.00 75.44 H new ATOM 0 HD1 HIS A 352 -4.619 17.566 1.976 1.00 55.22 H new ATOM 0 HD2 HIS A 352 -4.043 17.132 -2.167 1.00 34.45 H new ATOM 0 HE1 HIS A 352 -2.289 18.475 1.447 1.00 23.33 H new ATOM 104 N ILE A 353 -8.019 15.937 2.550 1.00 11.23 N ATOM 105 CA ILE A 353 -9.330 15.956 3.176 1.00 12.44 C ATOM 106 C ILE A 353 -9.756 17.407 3.414 1.00 71.44 C ATOM 107 O ILE A 353 -8.953 18.230 3.849 1.00 44.15 O ATOM 108 CB ILE A 353 -9.331 15.100 4.444 1.00 31.12 C ATOM 109 CG1 ILE A 353 -9.376 13.610 4.099 1.00 34.14 C ATOM 110 CG2 ILE A 353 -10.471 15.507 5.380 1.00 74.32 C ATOM 111 CD1 ILE A 353 -9.410 12.754 5.367 1.00 13.54 C ATOM 0 H ILE A 353 -7.284 16.401 3.084 1.00 11.23 H new ATOM 0 HA ILE A 353 -10.073 15.509 2.516 1.00 12.44 H new ATOM 0 HB ILE A 353 -8.398 15.279 4.978 1.00 31.12 H new ATOM 0 HG12 ILE A 353 -10.256 13.400 3.491 1.00 34.14 H new ATOM 0 HG13 ILE A 353 -8.504 13.345 3.500 1.00 34.14 H new ATOM 0 HG21 ILE A 353 -10.449 14.883 6.273 1.00 74.32 H new ATOM 0 HG22 ILE A 353 -10.352 16.552 5.665 1.00 74.32 H new ATOM 0 HG23 ILE A 353 -11.425 15.376 4.870 1.00 74.32 H new ATOM 0 HD11 ILE A 353 -9.442 11.699 5.093 1.00 13.54 H new ATOM 0 HD12 ILE A 353 -8.517 12.948 5.961 1.00 13.54 H new ATOM 0 HD13 ILE A 353 -10.296 13.004 5.951 1.00 13.54 H new ATOM 123 N LYS A 354 -11.019 17.675 3.117 1.00 33.23 N ATOM 124 CA LYS A 354 -11.562 19.011 3.293 1.00 43.41 C ATOM 125 C LYS A 354 -12.515 19.017 4.489 1.00 11.14 C ATOM 126 O LYS A 354 -13.473 18.246 4.528 1.00 11.41 O ATOM 127 CB LYS A 354 -12.202 19.505 1.994 1.00 71.42 C ATOM 128 CG LYS A 354 -12.949 20.821 2.216 1.00 14.14 C ATOM 129 CD LYS A 354 -11.971 21.984 2.394 1.00 21.34 C ATOM 130 CE LYS A 354 -12.643 23.320 2.074 1.00 13.23 C ATOM 131 NZ LYS A 354 -12.948 23.414 0.629 1.00 42.10 N ATOM 0 H LYS A 354 -11.682 16.989 2.756 1.00 33.23 H new ATOM 0 HA LYS A 354 -10.764 19.719 3.518 1.00 43.41 H new ATOM 0 HB2 LYS A 354 -11.432 19.643 1.235 1.00 71.42 H new ATOM 0 HB3 LYS A 354 -12.892 18.751 1.615 1.00 71.42 H new ATOM 0 HG2 LYS A 354 -13.604 21.019 1.368 1.00 14.14 H new ATOM 0 HG3 LYS A 354 -13.585 20.738 3.097 1.00 14.14 H new ATOM 0 HD2 LYS A 354 -11.598 21.997 3.418 1.00 21.34 H new ATOM 0 HD3 LYS A 354 -11.109 21.841 1.743 1.00 21.34 H new ATOM 0 HE2 LYS A 354 -13.561 23.420 2.653 1.00 13.23 H new ATOM 0 HE3 LYS A 354 -11.990 24.142 2.368 1.00 13.23 H new ATOM 0 HZ1 LYS A 354 -12.980 24.414 0.345 1.00 42.10 H new ATOM 0 HZ2 LYS A 354 -12.210 22.923 0.086 1.00 42.10 H new ATOM 0 HZ3 LYS A 354 -13.870 22.971 0.439 1.00 42.10 H new ATOM 144 N VAL A 355 -12.220 19.895 5.437 1.00 65.12 N ATOM 145 CA VAL A 355 -13.038 20.011 6.631 1.00 15.04 C ATOM 146 C VAL A 355 -14.368 20.677 6.270 1.00 3.24 C ATOM 147 O VAL A 355 -14.457 21.393 5.274 1.00 0.12 O ATOM 148 CB VAL A 355 -12.270 20.761 7.722 1.00 54.25 C ATOM 149 CG1 VAL A 355 -13.229 21.375 8.744 1.00 41.22 C ATOM 150 CG2 VAL A 355 -11.253 19.845 8.405 1.00 72.03 C ATOM 0 H VAL A 355 -11.425 20.533 5.402 1.00 65.12 H new ATOM 0 HA VAL A 355 -13.267 19.025 7.034 1.00 15.04 H new ATOM 0 HB VAL A 355 -11.721 21.574 7.247 1.00 54.25 H new ATOM 0 HG11 VAL A 355 -12.658 21.902 9.508 1.00 41.22 H new ATOM 0 HG12 VAL A 355 -13.896 22.076 8.242 1.00 41.22 H new ATOM 0 HG13 VAL A 355 -13.817 20.585 9.211 1.00 41.22 H new ATOM 0 HG21 VAL A 355 -10.721 20.403 9.176 1.00 72.03 H new ATOM 0 HG22 VAL A 355 -11.771 19.001 8.860 1.00 72.03 H new ATOM 0 HG23 VAL A 355 -10.541 19.478 7.666 1.00 72.03 H new ATOM 160 N THR A 356 -15.367 20.418 7.100 1.00 35.12 N ATOM 161 CA THR A 356 -16.688 20.983 6.881 1.00 1.50 C ATOM 162 C THR A 356 -17.144 21.767 8.113 1.00 5.43 C ATOM 163 O THR A 356 -16.832 21.392 9.242 1.00 32.15 O ATOM 164 CB THR A 356 -17.634 19.842 6.503 1.00 51.33 C ATOM 165 OG1 THR A 356 -17.237 18.767 7.349 1.00 13.14 O ATOM 166 CG2 THR A 356 -17.381 19.316 5.089 1.00 62.05 C ATOM 0 H THR A 356 -15.289 19.824 7.926 1.00 35.12 H new ATOM 0 HA THR A 356 -16.679 21.702 6.062 1.00 1.50 H new ATOM 0 HB THR A 356 -18.666 20.184 6.584 1.00 51.33 H new ATOM 0 HG1 THR A 356 -17.800 17.985 7.171 1.00 13.14 H new ATOM 0 HG21 THR A 356 -18.079 18.508 4.871 1.00 62.05 H new ATOM 0 HG22 THR A 356 -17.524 20.122 4.370 1.00 62.05 H new ATOM 0 HG23 THR A 356 -16.359 18.943 5.017 1.00 62.05 H new ATOM 174 N GLN A 357 -17.874 22.842 7.855 1.00 43.34 N ATOM 175 CA GLN A 357 -18.375 23.682 8.929 1.00 54.53 C ATOM 176 C GLN A 357 -18.866 22.819 10.093 1.00 52.33 C ATOM 177 O GLN A 357 -18.542 23.087 11.249 1.00 41.24 O ATOM 178 CB GLN A 357 -19.485 24.609 8.427 1.00 2.14 C ATOM 179 CG GLN A 357 -18.930 25.653 7.456 1.00 72.11 C ATOM 180 CD GLN A 357 -19.741 26.949 7.522 1.00 21.21 C ATOM 181 OE1 GLN A 357 -20.568 27.238 6.673 1.00 32.12 O ATOM 182 NE2 GLN A 357 -19.458 27.710 8.575 1.00 15.52 N ATOM 0 H GLN A 357 -18.131 23.151 6.917 1.00 43.34 H new ATOM 0 HA GLN A 357 -17.557 24.308 9.286 1.00 54.53 H new ATOM 0 HB2 GLN A 357 -20.258 24.021 7.932 1.00 2.14 H new ATOM 0 HB3 GLN A 357 -19.957 25.109 9.273 1.00 2.14 H new ATOM 0 HG2 GLN A 357 -17.887 25.860 7.696 1.00 72.11 H new ATOM 0 HG3 GLN A 357 -18.951 25.258 6.440 1.00 72.11 H new ATOM 0 HE21 GLN A 357 -18.754 27.408 9.248 1.00 15.52 H new ATOM 0 HE22 GLN A 357 -19.945 28.596 8.710 1.00 15.52 H new ATOM 191 N GLU A 358 -19.640 21.801 9.747 1.00 30.13 N ATOM 192 CA GLU A 358 -20.179 20.897 10.749 1.00 23.22 C ATOM 193 C GLU A 358 -19.064 20.405 11.675 1.00 60.15 C ATOM 194 O GLU A 358 -19.231 20.378 12.893 1.00 64.41 O ATOM 195 CB GLU A 358 -20.905 19.721 10.093 1.00 51.12 C ATOM 196 CG GLU A 358 -19.935 18.862 9.280 1.00 63.14 C ATOM 197 CD GLU A 358 -20.687 17.815 8.456 1.00 55.22 C ATOM 198 OE1 GLU A 358 -21.179 16.823 9.014 1.00 24.11 O ATOM 199 OE2 GLU A 358 -20.754 18.061 7.191 1.00 1.32 O ATOM 0 H GLU A 358 -19.907 21.582 8.787 1.00 30.13 H new ATOM 0 HA GLU A 358 -20.908 21.443 11.348 1.00 23.22 H new ATOM 0 HB2 GLU A 358 -21.382 19.110 10.860 1.00 51.12 H new ATOM 0 HB3 GLU A 358 -21.697 20.094 9.444 1.00 51.12 H new ATOM 0 HG2 GLU A 358 -19.348 19.498 8.618 1.00 63.14 H new ATOM 0 HG3 GLU A 358 -19.233 18.366 9.951 1.00 63.14 H new ATOM 207 N GLN A 359 -17.952 20.028 11.061 1.00 41.44 N ATOM 208 CA GLN A 359 -16.810 19.539 11.814 1.00 20.11 C ATOM 209 C GLN A 359 -16.250 20.647 12.709 1.00 72.41 C ATOM 210 O GLN A 359 -16.319 20.554 13.934 1.00 41.45 O ATOM 211 CB GLN A 359 -15.730 18.991 10.879 1.00 10.20 C ATOM 212 CG GLN A 359 -16.293 17.891 9.977 1.00 45.14 C ATOM 213 CD GLN A 359 -15.297 17.525 8.874 1.00 75.35 C ATOM 214 OE1 GLN A 359 -14.172 17.993 8.837 1.00 44.33 O ATOM 215 NE2 GLN A 359 -15.774 16.663 7.980 1.00 60.14 N ATOM 0 H GLN A 359 -17.818 20.051 10.050 1.00 41.44 H new ATOM 0 HA GLN A 359 -17.143 18.719 12.450 1.00 20.11 H new ATOM 0 HB2 GLN A 359 -15.330 19.799 10.267 1.00 10.20 H new ATOM 0 HB3 GLN A 359 -14.901 18.596 11.467 1.00 10.20 H new ATOM 0 HG2 GLN A 359 -16.522 17.008 10.573 1.00 45.14 H new ATOM 0 HG3 GLN A 359 -17.229 18.225 9.530 1.00 45.14 H new ATOM 0 HE21 GLN A 359 -16.727 16.310 8.070 1.00 60.14 H new ATOM 0 HE22 GLN A 359 -15.187 16.355 7.204 1.00 60.14 H new ATOM 224 N TYR A 360 -15.709 21.669 12.062 1.00 23.45 N ATOM 225 CA TYR A 360 -15.137 22.793 12.784 1.00 34.24 C ATOM 226 C TYR A 360 -16.018 23.187 13.972 1.00 73.42 C ATOM 227 O TYR A 360 -15.511 23.524 15.041 1.00 73.34 O ATOM 228 CB TYR A 360 -15.094 23.954 11.790 1.00 42.44 C ATOM 229 CG TYR A 360 -14.060 25.029 12.133 1.00 72.12 C ATOM 230 CD1 TYR A 360 -12.805 24.663 12.576 1.00 55.11 C ATOM 231 CD2 TYR A 360 -14.383 26.364 11.999 1.00 4.31 C ATOM 232 CE1 TYR A 360 -11.833 25.674 12.899 1.00 43.52 C ATOM 233 CE2 TYR A 360 -13.410 27.376 12.322 1.00 22.31 C ATOM 234 CZ TYR A 360 -12.183 26.981 12.756 1.00 21.10 C ATOM 235 OH TYR A 360 -11.264 27.936 13.061 1.00 11.10 O ATOM 0 H TYR A 360 -15.655 21.742 11.046 1.00 23.45 H new ATOM 0 HA TYR A 360 -14.151 22.538 13.172 1.00 34.24 H new ATOM 0 HB2 TYR A 360 -14.878 23.561 10.797 1.00 42.44 H new ATOM 0 HB3 TYR A 360 -16.081 24.415 11.743 1.00 42.44 H new ATOM 0 HD1 TYR A 360 -12.552 23.618 12.680 1.00 55.11 H new ATOM 0 HD2 TYR A 360 -15.365 26.650 11.652 1.00 4.31 H new ATOM 0 HE1 TYR A 360 -10.848 25.401 13.247 1.00 43.52 H new ATOM 0 HE2 TYR A 360 -13.649 28.424 12.222 1.00 22.31 H new ATOM 0 HH TYR A 360 -11.652 28.823 12.910 1.00 11.10 H new ATOM 245 N GLU A 361 -17.322 23.131 13.744 1.00 34.14 N ATOM 246 CA GLU A 361 -18.279 23.478 14.782 1.00 25.42 C ATOM 247 C GLU A 361 -18.217 22.459 15.923 1.00 44.55 C ATOM 248 O GLU A 361 -18.039 22.831 17.082 1.00 71.53 O ATOM 249 CB GLU A 361 -19.695 23.577 14.212 1.00 63.31 C ATOM 250 CG GLU A 361 -19.938 24.951 13.584 1.00 33.34 C ATOM 251 CD GLU A 361 -21.433 25.273 13.533 1.00 72.31 C ATOM 252 OE1 GLU A 361 -22.224 24.667 14.272 1.00 64.03 O ATOM 253 OE2 GLU A 361 -21.765 26.190 12.688 1.00 24.32 O ATOM 0 H GLU A 361 -17.739 22.851 12.856 1.00 34.14 H new ATOM 0 HA GLU A 361 -18.014 24.457 15.180 1.00 25.42 H new ATOM 0 HB2 GLU A 361 -19.845 22.799 13.463 1.00 63.31 H new ATOM 0 HB3 GLU A 361 -20.423 23.401 15.004 1.00 63.31 H new ATOM 0 HG2 GLU A 361 -19.417 25.716 14.160 1.00 33.34 H new ATOM 0 HG3 GLU A 361 -19.523 24.973 12.576 1.00 33.34 H new ATOM 261 N LEU A 362 -18.367 21.196 15.554 1.00 65.23 N ATOM 262 CA LEU A 362 -18.330 20.121 16.531 1.00 1.54 C ATOM 263 C LEU A 362 -17.026 20.207 17.328 1.00 72.54 C ATOM 264 O LEU A 362 -16.968 19.898 18.518 1.00 4.24 O ATOM 265 CB LEU A 362 -18.547 18.769 15.850 1.00 51.03 C ATOM 266 CG LEU A 362 -19.089 17.649 16.740 1.00 63.52 C ATOM 267 CD1 LEU A 362 -20.618 17.673 16.783 1.00 3.51 C ATOM 268 CD2 LEU A 362 -18.550 16.287 16.296 1.00 20.00 C ATOM 0 H LEU A 362 -18.515 20.892 14.591 1.00 65.23 H new ATOM 0 HA LEU A 362 -19.148 20.226 17.244 1.00 1.54 H new ATOM 0 HB2 LEU A 362 -19.236 18.910 15.018 1.00 51.03 H new ATOM 0 HB3 LEU A 362 -17.598 18.442 15.426 1.00 51.03 H new ATOM 0 HG LEU A 362 -18.736 17.820 17.757 1.00 63.52 H new ATOM 0 HD11 LEU A 362 -20.977 16.867 17.423 1.00 3.51 H new ATOM 0 HD12 LEU A 362 -20.956 18.630 17.181 1.00 3.51 H new ATOM 0 HD13 LEU A 362 -21.012 17.540 15.776 1.00 3.51 H new ATOM 0 HD21 LEU A 362 -18.950 15.508 16.945 1.00 20.00 H new ATOM 0 HD22 LEU A 362 -18.853 16.094 15.267 1.00 20.00 H new ATOM 0 HD23 LEU A 362 -17.462 16.288 16.359 1.00 20.00 H new ATOM 304 N CYS A 364 -15.345 23.077 17.524 1.00 71.12 N ATOM 305 CA CYS A 364 -15.297 24.411 18.096 1.00 3.54 C ATOM 306 C CYS A 364 -15.660 24.311 19.579 1.00 14.51 C ATOM 307 O CYS A 364 -15.264 25.159 20.378 1.00 52.14 O ATOM 308 CB CYS A 364 -16.213 25.382 17.348 1.00 32.41 C ATOM 309 SG CYS A 364 -15.296 26.180 15.981 1.00 51.32 S ATOM 0 HA CYS A 364 -14.290 24.816 17.996 1.00 3.54 H new ATOM 0 HB2 CYS A 364 -17.078 24.848 16.954 1.00 32.41 H new ATOM 0 HB3 CYS A 364 -16.591 26.140 18.034 1.00 32.41 H new ATOM 0 HG CYS A 364 -15.065 25.307 15.046 1.00 51.32 H new ATOM 315 N GLU A 365 -16.410 23.268 19.903 1.00 54.34 N ATOM 316 CA GLU A 365 -16.832 23.047 21.275 1.00 20.44 C ATOM 317 C GLU A 365 -15.698 22.411 22.083 1.00 51.52 C ATOM 318 O GLU A 365 -15.836 22.189 23.285 1.00 51.13 O ATOM 319 CB GLU A 365 -18.094 22.183 21.329 1.00 64.22 C ATOM 320 CG GLU A 365 -19.248 22.851 20.579 1.00 63.23 C ATOM 321 CD GLU A 365 -20.439 21.900 20.446 1.00 21.21 C ATOM 322 OE1 GLU A 365 -20.844 21.566 19.322 1.00 1.45 O ATOM 323 OE2 GLU A 365 -20.947 21.503 21.563 1.00 11.35 O ATOM 0 H GLU A 365 -16.736 22.566 19.238 1.00 54.34 H new ATOM 0 HA GLU A 365 -17.073 24.012 21.720 1.00 20.44 H new ATOM 0 HB2 GLU A 365 -17.889 21.206 20.892 1.00 64.22 H new ATOM 0 HB3 GLU A 365 -18.380 22.014 22.367 1.00 64.22 H new ATOM 0 HG2 GLU A 365 -19.556 23.753 21.107 1.00 63.23 H new ATOM 0 HG3 GLU A 365 -18.913 23.160 19.589 1.00 63.23 H new ATOM 331 N MET A 366 -14.603 22.137 21.390 1.00 44.41 N ATOM 332 CA MET A 366 -13.446 21.532 22.027 1.00 4.35 C ATOM 333 C MET A 366 -12.324 22.556 22.214 1.00 51.32 C ATOM 334 O MET A 366 -11.593 22.509 23.202 1.00 32.20 O ATOM 335 CB MET A 366 -12.939 20.371 21.170 1.00 72.30 C ATOM 336 CG MET A 366 -14.104 19.622 20.518 1.00 3.21 C ATOM 337 SD MET A 366 -15.052 18.765 21.764 1.00 54.32 S ATOM 338 CE MET A 366 -16.396 18.151 20.762 1.00 61.20 C ATOM 0 H MET A 366 -14.492 22.323 20.393 1.00 44.41 H new ATOM 0 HA MET A 366 -13.746 21.166 23.009 1.00 4.35 H new ATOM 0 HB2 MET A 366 -12.268 20.749 20.399 1.00 72.30 H new ATOM 0 HB3 MET A 366 -12.360 19.684 21.787 1.00 72.30 H new ATOM 0 HG2 MET A 366 -14.743 20.323 19.981 1.00 3.21 H new ATOM 0 HG3 MET A 366 -13.725 18.911 19.784 1.00 3.21 H new ATOM 0 HE1 MET A 366 -16.754 17.207 21.173 1.00 61.20 H new ATOM 0 HE2 MET A 366 -17.209 18.877 20.759 1.00 61.20 H new ATOM 0 HE3 MET A 366 -16.046 17.993 19.742 1.00 61.20 H new ATOM 348 N GLY A 367 -12.223 23.458 21.249 1.00 53.24 N ATOM 349 CA GLY A 367 -11.203 24.492 21.294 1.00 53.02 C ATOM 350 C GLY A 367 -10.024 24.139 20.385 1.00 30.01 C ATOM 351 O GLY A 367 -8.943 24.712 20.514 1.00 54.45 O ATOM 0 H GLY A 367 -12.831 23.494 20.431 1.00 53.24 H new ATOM 0 HA2 GLY A 367 -11.632 25.445 20.985 1.00 53.02 H new ATOM 0 HA3 GLY A 367 -10.852 24.617 22.318 1.00 53.02 H new ATOM 355 N SER A 368 -10.272 23.197 19.487 1.00 24.10 N ATOM 356 CA SER A 368 -9.244 22.761 18.557 1.00 22.42 C ATOM 357 C SER A 368 -9.865 22.467 17.190 1.00 12.41 C ATOM 358 O SER A 368 -11.086 22.480 17.044 1.00 54.23 O ATOM 359 CB SER A 368 -8.513 21.524 19.084 1.00 12.14 C ATOM 360 OG SER A 368 -7.535 21.859 20.065 1.00 13.52 O ATOM 0 H SER A 368 -11.170 22.724 19.384 1.00 24.10 H new ATOM 0 HA SER A 368 -8.515 23.564 18.453 1.00 22.42 H new ATOM 0 HB2 SER A 368 -9.236 20.832 19.515 1.00 12.14 H new ATOM 0 HB3 SER A 368 -8.032 21.006 18.254 1.00 12.14 H new ATOM 0 HG SER A 368 -7.708 22.762 20.404 1.00 13.52 H new ATOM 366 N THR A 369 -8.996 22.210 16.224 1.00 52.13 N ATOM 367 CA THR A 369 -9.444 21.914 14.874 1.00 53.24 C ATOM 368 C THR A 369 -9.450 20.403 14.633 1.00 54.32 C ATOM 369 O THR A 369 -9.191 19.624 15.549 1.00 55.13 O ATOM 370 CB THR A 369 -8.548 22.681 13.899 1.00 10.12 C ATOM 371 OG1 THR A 369 -7.340 21.926 13.870 1.00 32.44 O ATOM 372 CG2 THR A 369 -8.121 24.045 14.446 1.00 54.02 C ATOM 0 H THR A 369 -7.984 22.201 16.349 1.00 52.13 H new ATOM 0 HA THR A 369 -10.472 22.240 14.719 1.00 53.24 H new ATOM 0 HB THR A 369 -9.073 22.817 12.954 1.00 10.12 H new ATOM 0 HG1 THR A 369 -6.702 22.352 13.260 1.00 32.44 H new ATOM 0 HG21 THR A 369 -7.487 24.548 13.716 1.00 54.02 H new ATOM 0 HG22 THR A 369 -9.005 24.653 14.638 1.00 54.02 H new ATOM 0 HG23 THR A 369 -7.566 23.907 15.374 1.00 54.02 H new ATOM 380 N PHE A 370 -9.749 20.035 13.396 1.00 62.33 N ATOM 381 CA PHE A 370 -9.792 18.631 13.023 1.00 70.01 C ATOM 382 C PHE A 370 -8.394 18.110 12.685 1.00 24.01 C ATOM 383 O PHE A 370 -7.849 17.274 13.404 1.00 65.32 O ATOM 384 CB PHE A 370 -10.677 18.526 11.779 1.00 22.42 C ATOM 385 CG PHE A 370 -10.826 17.101 11.241 1.00 53.22 C ATOM 386 CD1 PHE A 370 -11.193 16.093 12.077 1.00 43.21 C ATOM 387 CD2 PHE A 370 -10.593 16.843 9.926 1.00 40.30 C ATOM 388 CE1 PHE A 370 -11.332 14.771 11.577 1.00 4.32 C ATOM 389 CE2 PHE A 370 -10.732 15.521 9.426 1.00 2.43 C ATOM 390 CZ PHE A 370 -11.098 14.513 10.262 1.00 12.34 C ATOM 0 H PHE A 370 -9.964 20.684 12.639 1.00 62.33 H new ATOM 0 HA PHE A 370 -10.181 18.038 13.851 1.00 70.01 H new ATOM 0 HB2 PHE A 370 -11.666 18.920 12.014 1.00 22.42 H new ATOM 0 HB3 PHE A 370 -10.261 19.158 10.995 1.00 22.42 H new ATOM 0 HD1 PHE A 370 -11.379 16.298 13.121 1.00 43.21 H new ATOM 0 HD2 PHE A 370 -10.302 17.644 9.262 1.00 40.30 H new ATOM 0 HE1 PHE A 370 -11.623 13.970 12.241 1.00 4.32 H new ATOM 0 HE2 PHE A 370 -10.547 15.316 8.382 1.00 2.43 H new ATOM 0 HZ PHE A 370 -11.203 13.508 9.882 1.00 12.34 H new ATOM 400 N GLN A 371 -7.853 18.626 11.591 1.00 31.11 N ATOM 401 CA GLN A 371 -6.529 18.223 11.149 1.00 3.33 C ATOM 402 C GLN A 371 -5.597 18.055 12.351 1.00 44.11 C ATOM 403 O GLN A 371 -4.671 17.246 12.314 1.00 5.32 O ATOM 404 CB GLN A 371 -5.956 19.228 10.148 1.00 61.25 C ATOM 405 CG GLN A 371 -5.962 20.644 10.727 1.00 52.04 C ATOM 406 CD GLN A 371 -7.277 21.360 10.411 1.00 32.41 C ATOM 407 OE1 GLN A 371 -7.453 21.956 9.361 1.00 30.13 O ATOM 408 NE2 GLN A 371 -8.188 21.267 11.376 1.00 53.34 N ATOM 0 H GLN A 371 -8.308 19.320 10.998 1.00 31.11 H new ATOM 0 HA GLN A 371 -6.613 17.262 10.642 1.00 3.33 H new ATOM 0 HB2 GLN A 371 -4.937 18.943 9.885 1.00 61.25 H new ATOM 0 HB3 GLN A 371 -6.541 19.205 9.229 1.00 61.25 H new ATOM 0 HG2 GLN A 371 -5.818 20.600 11.807 1.00 52.04 H new ATOM 0 HG3 GLN A 371 -5.127 21.212 10.317 1.00 52.04 H new ATOM 0 HE21 GLN A 371 -7.975 20.752 12.231 1.00 53.34 H new ATOM 0 HE22 GLN A 371 -9.099 21.710 11.261 1.00 53.34 H new ATOM 417 N LEU A 372 -5.874 18.832 13.388 1.00 43.14 N ATOM 418 CA LEU A 372 -5.072 18.779 14.598 1.00 5.21 C ATOM 419 C LEU A 372 -5.326 17.452 15.316 1.00 40.22 C ATOM 420 O LEU A 372 -6.426 17.163 15.785 1.00 54.52 O ATOM 421 CB LEU A 372 -5.334 20.010 15.469 1.00 70.41 C ATOM 422 CG LEU A 372 -4.237 20.366 16.474 1.00 41.30 C ATOM 423 CD1 LEU A 372 -4.825 21.057 17.705 1.00 14.55 C ATOM 424 CD2 LEU A 372 -3.414 19.132 16.848 1.00 44.10 C ATOM 0 H LEU A 372 -6.643 19.502 13.415 1.00 43.14 H new ATOM 0 HA LEU A 372 -4.010 18.811 14.353 1.00 5.21 H new ATOM 0 HB2 LEU A 372 -5.491 20.867 14.814 1.00 70.41 H new ATOM 0 HB3 LEU A 372 -6.263 19.852 16.016 1.00 70.41 H new ATOM 0 HG LEU A 372 -3.557 21.075 16.001 1.00 41.30 H new ATOM 0 HD11 LEU A 372 -4.024 21.299 18.404 1.00 14.55 H new ATOM 0 HD12 LEU A 372 -5.331 21.973 17.401 1.00 14.55 H new ATOM 0 HD13 LEU A 372 -5.540 20.391 18.189 1.00 14.55 H new ATOM 0 HD21 LEU A 372 -2.641 19.413 17.564 1.00 44.10 H new ATOM 0 HD22 LEU A 372 -4.066 18.381 17.294 1.00 44.10 H new ATOM 0 HD23 LEU A 372 -2.947 18.721 15.953 1.00 44.10 H new ATOM 436 N CYS A 373 -4.273 16.644 15.392 1.00 73.34 N ATOM 437 CA CYS A 373 -4.354 15.342 16.044 1.00 45.51 C ATOM 438 C CYS A 373 -5.041 15.455 17.402 1.00 50.24 C ATOM 439 O CYS A 373 -4.940 16.500 18.043 1.00 43.14 O ATOM 440 CB CYS A 373 -2.955 14.748 16.216 1.00 22.35 C ATOM 441 SG CYS A 373 -1.901 15.657 17.392 1.00 23.43 S ATOM 0 H CYS A 373 -3.354 16.868 15.010 1.00 73.34 H new ATOM 0 HA CYS A 373 -4.947 14.682 15.411 1.00 45.51 H new ATOM 0 HB2 CYS A 373 -3.049 13.715 16.552 1.00 22.35 H new ATOM 0 HB3 CYS A 373 -2.460 14.723 15.245 1.00 22.35 H new ATOM 0 HG CYS A 373 -0.805 14.989 17.598 1.00 23.43 H new ATOM 446 N LYS A 374 -5.718 14.390 17.805 1.00 41.11 N ATOM 447 CA LYS A 374 -6.413 14.384 19.081 1.00 51.11 C ATOM 448 C LYS A 374 -5.638 13.517 20.075 1.00 1.20 C ATOM 449 O LYS A 374 -6.211 13.004 21.035 1.00 3.32 O ATOM 450 CB LYS A 374 -7.870 13.954 18.895 1.00 2.33 C ATOM 451 CG LYS A 374 -8.579 14.847 17.875 1.00 70.43 C ATOM 452 CD LYS A 374 -8.343 16.327 18.182 1.00 23.45 C ATOM 453 CE LYS A 374 -9.179 17.218 17.262 1.00 3.22 C ATOM 454 NZ LYS A 374 -10.550 17.374 17.797 1.00 70.30 N ATOM 0 H LYS A 374 -5.800 13.525 17.270 1.00 41.11 H new ATOM 0 HA LYS A 374 -6.452 15.390 19.498 1.00 51.11 H new ATOM 0 HB2 LYS A 374 -7.907 12.916 18.563 1.00 2.33 H new ATOM 0 HB3 LYS A 374 -8.392 14.002 19.851 1.00 2.33 H new ATOM 0 HG2 LYS A 374 -8.217 14.618 16.873 1.00 70.43 H new ATOM 0 HG3 LYS A 374 -9.648 14.636 17.884 1.00 70.43 H new ATOM 0 HD2 LYS A 374 -8.598 16.531 19.222 1.00 23.45 H new ATOM 0 HD3 LYS A 374 -7.286 16.563 18.060 1.00 23.45 H new ATOM 0 HE2 LYS A 374 -8.707 18.196 17.165 1.00 3.22 H new ATOM 0 HE3 LYS A 374 -9.219 16.783 16.263 1.00 3.22 H new ATOM 0 HZ1 LYS A 374 -11.104 17.982 17.160 1.00 70.30 H new ATOM 0 HZ2 LYS A 374 -11.004 16.441 17.867 1.00 70.30 H new ATOM 0 HZ3 LYS A 374 -10.507 17.809 18.741 1.00 70.30 H new ATOM 467 N ILE A 375 -4.347 13.380 19.811 1.00 41.23 N ATOM 468 CA ILE A 375 -3.487 12.584 20.670 1.00 13.22 C ATOM 469 C ILE A 375 -2.696 13.513 21.593 1.00 22.33 C ATOM 470 O ILE A 375 -2.822 13.435 22.814 1.00 21.04 O ATOM 471 CB ILE A 375 -2.608 11.653 19.834 1.00 62.33 C ATOM 472 CG1 ILE A 375 -3.403 10.441 19.344 1.00 72.10 C ATOM 473 CG2 ILE A 375 -1.354 11.241 20.608 1.00 71.31 C ATOM 474 CD1 ILE A 375 -2.508 9.476 18.564 1.00 41.44 C ATOM 0 H ILE A 375 -3.875 13.807 19.014 1.00 41.23 H new ATOM 0 HA ILE A 375 -4.084 11.932 21.308 1.00 13.22 H new ATOM 0 HB ILE A 375 -2.276 12.199 18.951 1.00 62.33 H new ATOM 0 HG12 ILE A 375 -3.846 9.924 20.195 1.00 72.10 H new ATOM 0 HG13 ILE A 375 -4.225 10.773 18.710 1.00 72.10 H new ATOM 0 HG21 ILE A 375 -0.747 10.579 19.991 1.00 71.31 H new ATOM 0 HG22 ILE A 375 -0.777 12.129 20.865 1.00 71.31 H new ATOM 0 HG23 ILE A 375 -1.644 10.721 21.521 1.00 71.31 H new ATOM 0 HD11 ILE A 375 -3.098 8.624 18.227 1.00 41.44 H new ATOM 0 HD12 ILE A 375 -2.086 9.989 17.700 1.00 41.44 H new ATOM 0 HD13 ILE A 375 -1.701 9.127 19.208 1.00 41.44 H new ATOM 486 N CYS A 376 -1.897 14.370 20.974 1.00 32.14 N ATOM 487 CA CYS A 376 -1.085 15.312 21.725 1.00 12.43 C ATOM 488 C CYS A 376 -1.680 16.710 21.543 1.00 1.25 C ATOM 489 O CYS A 376 -1.454 17.597 22.366 1.00 65.35 O ATOM 490 CB CYS A 376 0.384 15.257 21.301 1.00 54.35 C ATOM 491 SG CYS A 376 0.687 15.635 19.536 1.00 52.31 S ATOM 0 H CYS A 376 -1.795 14.432 19.961 1.00 32.14 H new ATOM 0 HA CYS A 376 -1.099 15.047 22.782 1.00 12.43 H new ATOM 0 HB2 CYS A 376 0.950 15.960 21.911 1.00 54.35 H new ATOM 0 HB3 CYS A 376 0.773 14.262 21.517 1.00 54.35 H new ATOM 0 HG CYS A 376 -0.421 16.027 18.980 1.00 52.31 H new ATOM 496 N ALA A 377 -2.429 16.864 20.461 1.00 20.35 N ATOM 497 CA ALA A 377 -3.058 18.139 20.161 1.00 21.33 C ATOM 498 C ALA A 377 -1.976 19.201 19.958 1.00 23.03 C ATOM 499 O ALA A 377 -2.115 20.331 20.423 1.00 55.31 O ATOM 500 CB ALA A 377 -4.031 18.505 21.284 1.00 71.24 C ATOM 0 H ALA A 377 -2.614 16.127 19.781 1.00 20.35 H new ATOM 0 HA ALA A 377 -3.634 18.075 19.238 1.00 21.33 H new ATOM 0 HB1 ALA A 377 -4.503 19.461 21.059 1.00 71.24 H new ATOM 0 HB2 ALA A 377 -4.796 17.734 21.368 1.00 71.24 H new ATOM 0 HB3 ALA A 377 -3.488 18.581 22.226 1.00 71.24 H new ATOM 506 N GLU A 378 -0.921 18.800 19.264 1.00 40.22 N ATOM 507 CA GLU A 378 0.185 19.704 18.994 1.00 75.33 C ATOM 508 C GLU A 378 0.609 19.599 17.527 1.00 2.35 C ATOM 509 O GLU A 378 0.811 20.614 16.862 1.00 11.12 O ATOM 510 CB GLU A 378 1.363 19.422 19.927 1.00 5.12 C ATOM 511 CG GLU A 378 2.262 20.653 20.062 1.00 22.02 C ATOM 512 CD GLU A 378 3.021 20.635 21.391 1.00 61.34 C ATOM 513 OE1 GLU A 378 4.259 20.706 21.398 1.00 10.34 O ATOM 514 OE2 GLU A 378 2.279 20.543 22.442 1.00 55.55 O ATOM 0 H GLU A 378 -0.808 17.862 18.880 1.00 40.22 H new ATOM 0 HA GLU A 378 -0.149 20.724 19.183 1.00 75.33 H new ATOM 0 HB2 GLU A 378 0.992 19.129 20.909 1.00 5.12 H new ATOM 0 HB3 GLU A 378 1.944 18.584 19.542 1.00 5.12 H new ATOM 0 HG2 GLU A 378 2.971 20.682 19.235 1.00 22.02 H new ATOM 0 HG3 GLU A 378 1.658 21.558 19.996 1.00 22.02 H new ATOM 522 N ASN A 379 0.732 18.363 17.067 1.00 44.22 N ATOM 523 CA ASN A 379 1.129 18.113 15.692 1.00 44.14 C ATOM 524 C ASN A 379 -0.108 17.756 14.865 1.00 23.21 C ATOM 525 O ASN A 379 -1.177 17.506 15.419 1.00 54.15 O ATOM 526 CB ASN A 379 2.110 16.942 15.606 1.00 72.23 C ATOM 527 CG ASN A 379 3.461 17.312 16.220 1.00 21.45 C ATOM 528 OD1 ASN A 379 4.042 18.345 15.932 1.00 53.21 O ATOM 529 ND2 ASN A 379 3.928 16.412 17.082 1.00 52.22 N ATOM 0 H ASN A 379 0.564 17.524 17.622 1.00 44.22 H new ATOM 0 HA ASN A 379 1.609 19.014 15.311 1.00 44.14 H new ATOM 0 HB2 ASN A 379 1.696 16.077 16.124 1.00 72.23 H new ATOM 0 HB3 ASN A 379 2.247 16.654 14.564 1.00 72.23 H new ATOM 0 HD21 ASN A 379 4.823 16.567 17.546 1.00 52.22 H new ATOM 0 HD22 ASN A 379 3.391 15.567 17.279 1.00 52.22 H new ATOM 536 N ASP A 380 0.080 17.743 13.554 1.00 72.14 N ATOM 537 CA ASP A 380 -1.008 17.420 12.645 1.00 4.34 C ATOM 538 C ASP A 380 -1.029 15.911 12.398 1.00 32.54 C ATOM 539 O ASP A 380 -0.016 15.235 12.571 1.00 2.11 O ATOM 540 CB ASP A 380 -0.823 18.117 11.296 1.00 14.41 C ATOM 541 CG ASP A 380 0.617 18.163 10.783 1.00 24.11 C ATOM 542 OD1 ASP A 380 0.959 17.519 9.780 1.00 72.01 O ATOM 543 OD2 ASP A 380 1.417 18.908 11.468 1.00 13.33 O ATOM 0 H ASP A 380 0.969 17.951 13.099 1.00 72.14 H new ATOM 0 HA ASP A 380 -1.939 17.756 13.100 1.00 4.34 H new ATOM 0 HB2 ASP A 380 -1.441 17.610 10.555 1.00 14.41 H new ATOM 0 HB3 ASP A 380 -1.196 19.138 11.378 1.00 14.41 H new ATOM 549 N LYS A 381 -2.195 15.425 11.998 1.00 13.22 N ATOM 550 CA LYS A 381 -2.362 14.008 11.726 1.00 72.33 C ATOM 551 C LYS A 381 -1.594 13.643 10.454 1.00 52.54 C ATOM 552 O LYS A 381 -0.667 12.836 10.494 1.00 72.04 O ATOM 553 CB LYS A 381 -3.847 13.644 11.673 1.00 33.51 C ATOM 554 CG LYS A 381 -4.530 13.932 13.011 1.00 13.15 C ATOM 555 CD LYS A 381 -5.897 14.587 12.800 1.00 43.13 C ATOM 556 CE LYS A 381 -7.014 13.731 13.399 1.00 20.03 C ATOM 557 NZ LYS A 381 -8.202 13.738 12.517 1.00 33.41 N ATOM 0 H LYS A 381 -3.034 15.988 11.856 1.00 13.22 H new ATOM 0 HA LYS A 381 -1.940 13.413 12.536 1.00 72.33 H new ATOM 0 HB2 LYS A 381 -4.336 14.212 10.881 1.00 33.51 H new ATOM 0 HB3 LYS A 381 -3.958 12.589 11.424 1.00 33.51 H new ATOM 0 HG2 LYS A 381 -4.650 13.004 13.569 1.00 13.15 H new ATOM 0 HG3 LYS A 381 -3.898 14.586 13.612 1.00 13.15 H new ATOM 0 HD2 LYS A 381 -5.905 15.575 13.260 1.00 43.13 H new ATOM 0 HD3 LYS A 381 -6.075 14.730 11.734 1.00 43.13 H new ATOM 0 HE2 LYS A 381 -6.662 12.709 13.537 1.00 20.03 H new ATOM 0 HE3 LYS A 381 -7.283 14.111 14.384 1.00 20.03 H new ATOM 0 HZ1 LYS A 381 -8.637 12.794 12.514 1.00 33.41 H new ATOM 0 HZ2 LYS A 381 -8.890 14.435 12.867 1.00 33.41 H new ATOM 0 HZ3 LYS A 381 -7.915 13.990 11.550 1.00 33.41 H new ATOM 570 N ASP A 382 -2.008 14.257 9.355 1.00 74.45 N ATOM 571 CA ASP A 382 -1.371 14.007 8.073 1.00 40.02 C ATOM 572 C ASP A 382 -1.320 12.499 7.819 1.00 41.24 C ATOM 573 O ASP A 382 -0.503 12.026 7.030 1.00 4.33 O ATOM 574 CB ASP A 382 0.064 14.538 8.059 1.00 71.33 C ATOM 575 CG ASP A 382 1.088 13.651 8.770 1.00 43.13 C ATOM 576 OD1 ASP A 382 1.421 13.875 9.943 1.00 23.30 O ATOM 577 OD2 ASP A 382 1.557 12.682 8.059 1.00 45.32 O ATOM 0 H ASP A 382 -2.777 14.927 9.326 1.00 74.45 H new ATOM 0 HA ASP A 382 -1.951 14.515 7.303 1.00 40.02 H new ATOM 0 HB2 ASP A 382 0.377 14.670 7.023 1.00 71.33 H new ATOM 0 HB3 ASP A 382 0.075 15.524 8.523 1.00 71.33 H new ATOM 583 N VAL A 383 -2.204 11.786 8.501 1.00 5.02 N ATOM 584 CA VAL A 383 -2.269 10.341 8.359 1.00 14.43 C ATOM 585 C VAL A 383 -3.692 9.868 8.663 1.00 32.22 C ATOM 586 O VAL A 383 -4.429 10.532 9.390 1.00 33.03 O ATOM 587 CB VAL A 383 -1.216 9.679 9.250 1.00 40.42 C ATOM 588 CG1 VAL A 383 -1.822 9.247 10.586 1.00 24.35 C ATOM 589 CG2 VAL A 383 -0.560 8.496 8.536 1.00 72.30 C ATOM 0 H VAL A 383 -2.881 12.182 9.153 1.00 5.02 H new ATOM 0 HA VAL A 383 -2.039 10.047 7.335 1.00 14.43 H new ATOM 0 HB VAL A 383 -0.440 10.416 9.458 1.00 40.42 H new ATOM 0 HG11 VAL A 383 -1.053 8.779 11.200 1.00 24.35 H new ATOM 0 HG12 VAL A 383 -2.220 10.120 11.104 1.00 24.35 H new ATOM 0 HG13 VAL A 383 -2.626 8.534 10.407 1.00 24.35 H new ATOM 0 HG21 VAL A 383 0.184 8.043 9.191 1.00 72.30 H new ATOM 0 HG22 VAL A 383 -1.320 7.756 8.284 1.00 72.30 H new ATOM 0 HG23 VAL A 383 -0.076 8.844 7.623 1.00 72.30 H new ATOM 599 N LYS A 384 -4.035 8.723 8.091 1.00 15.12 N ATOM 600 CA LYS A 384 -5.357 8.153 8.292 1.00 62.11 C ATOM 601 C LYS A 384 -5.239 6.632 8.411 1.00 4.21 C ATOM 602 O LYS A 384 -4.302 6.035 7.882 1.00 1.54 O ATOM 603 CB LYS A 384 -6.311 8.611 7.187 1.00 33.22 C ATOM 604 CG LYS A 384 -7.610 7.802 7.215 1.00 12.51 C ATOM 605 CD LYS A 384 -8.710 8.504 6.415 1.00 65.33 C ATOM 606 CE LYS A 384 -10.088 8.226 7.017 1.00 32.11 C ATOM 607 NZ LYS A 384 -10.703 7.040 6.380 1.00 61.02 N ATOM 0 H LYS A 384 -3.421 8.175 7.489 1.00 15.12 H new ATOM 0 HA LYS A 384 -5.790 8.514 9.225 1.00 62.11 H new ATOM 0 HB2 LYS A 384 -6.535 9.670 7.311 1.00 33.22 H new ATOM 0 HB3 LYS A 384 -5.829 8.499 6.216 1.00 33.22 H new ATOM 0 HG2 LYS A 384 -7.433 6.809 6.803 1.00 12.51 H new ATOM 0 HG3 LYS A 384 -7.936 7.666 8.246 1.00 12.51 H new ATOM 0 HD2 LYS A 384 -8.525 9.578 6.401 1.00 65.33 H new ATOM 0 HD3 LYS A 384 -8.686 8.163 5.380 1.00 65.33 H new ATOM 0 HE2 LYS A 384 -9.996 8.063 8.091 1.00 32.11 H new ATOM 0 HE3 LYS A 384 -10.733 9.094 6.881 1.00 32.11 H new ATOM 0 HZ1 LYS A 384 -11.623 6.845 6.824 1.00 61.02 H new ATOM 0 HZ2 LYS A 384 -10.840 7.223 5.365 1.00 61.02 H new ATOM 0 HZ3 LYS A 384 -10.079 6.217 6.502 1.00 61.02 H new ATOM 620 N ILE A 385 -6.202 6.049 9.109 1.00 62.31 N ATOM 621 CA ILE A 385 -6.217 4.609 9.304 1.00 35.13 C ATOM 622 C ILE A 385 -7.427 4.014 8.581 1.00 32.52 C ATOM 623 O ILE A 385 -8.518 4.580 8.619 1.00 13.11 O ATOM 624 CB ILE A 385 -6.164 4.270 10.795 1.00 32.14 C ATOM 625 CG1 ILE A 385 -4.881 4.806 11.434 1.00 72.00 C ATOM 626 CG2 ILE A 385 -6.332 2.766 11.022 1.00 14.21 C ATOM 627 CD1 ILE A 385 -3.665 3.995 10.984 1.00 25.43 C ATOM 0 H ILE A 385 -6.977 6.547 9.546 1.00 62.31 H new ATOM 0 HA ILE A 385 -5.328 4.156 8.866 1.00 35.13 H new ATOM 0 HB ILE A 385 -7.001 4.765 11.288 1.00 32.14 H new ATOM 0 HG12 ILE A 385 -4.745 5.853 11.163 1.00 72.00 H new ATOM 0 HG13 ILE A 385 -4.967 4.767 12.520 1.00 72.00 H new ATOM 0 HG21 ILE A 385 -6.290 2.552 12.090 1.00 14.21 H new ATOM 0 HG22 ILE A 385 -7.294 2.443 10.625 1.00 14.21 H new ATOM 0 HG23 ILE A 385 -5.531 2.230 10.513 1.00 14.21 H new ATOM 0 HD11 ILE A 385 -2.766 4.396 11.452 1.00 25.43 H new ATOM 0 HD12 ILE A 385 -3.793 2.953 11.278 1.00 25.43 H new ATOM 0 HD13 ILE A 385 -3.568 4.056 9.900 1.00 25.43 H new ATOM 639 N GLU A 386 -7.193 2.878 7.939 1.00 10.52 N ATOM 640 CA GLU A 386 -8.250 2.200 7.208 1.00 0.14 C ATOM 641 C GLU A 386 -8.310 0.725 7.609 1.00 63.31 C ATOM 642 O GLU A 386 -7.364 0.198 8.193 1.00 34.33 O ATOM 643 CB GLU A 386 -8.056 2.351 5.698 1.00 34.13 C ATOM 644 CG GLU A 386 -9.012 3.399 5.125 1.00 51.21 C ATOM 645 CD GLU A 386 -9.389 3.065 3.680 1.00 14.22 C ATOM 646 OE1 GLU A 386 -9.967 1.999 3.421 1.00 50.00 O ATOM 647 OE2 GLU A 386 -9.062 3.960 2.811 1.00 54.15 O ATOM 0 H GLU A 386 -6.287 2.410 7.910 1.00 10.52 H new ATOM 0 HA GLU A 386 -9.201 2.665 7.467 1.00 0.14 H new ATOM 0 HB2 GLU A 386 -7.026 2.639 5.487 1.00 34.13 H new ATOM 0 HB3 GLU A 386 -8.226 1.392 5.208 1.00 34.13 H new ATOM 0 HG2 GLU A 386 -9.912 3.449 5.737 1.00 51.21 H new ATOM 0 HG3 GLU A 386 -8.545 4.383 5.165 1.00 51.21 H new ATOM 655 N PRO A 387 -9.460 0.083 7.270 1.00 42.13 N ATOM 656 CA PRO A 387 -10.530 0.781 6.579 1.00 53.25 C ATOM 657 C PRO A 387 -11.287 1.707 7.533 1.00 34.21 C ATOM 658 O PRO A 387 -11.995 2.628 7.126 1.00 4.03 O ATOM 659 CB PRO A 387 -11.406 -0.317 5.997 1.00 25.35 C ATOM 660 CG PRO A 387 -11.058 -1.579 6.770 1.00 34.44 C ATOM 661 CD PRO A 387 -9.771 -1.319 7.534 1.00 5.33 C ATOM 0 HA PRO A 387 -10.162 1.438 5.791 1.00 53.25 H new ATOM 0 HB2 PRO A 387 -12.463 -0.072 6.104 1.00 25.35 H new ATOM 0 HB3 PRO A 387 -11.215 -0.446 4.932 1.00 25.35 H new ATOM 0 HG2 PRO A 387 -11.863 -1.840 7.457 1.00 34.44 H new ATOM 0 HG3 PRO A 387 -10.934 -2.421 6.089 1.00 34.44 H new ATOM 0 HD2 PRO A 387 -9.900 -1.502 8.601 1.00 5.33 H new ATOM 0 HD3 PRO A 387 -8.969 -1.974 7.193 1.00 5.33 H new ATOM 669 N CYS A 388 -11.122 1.439 8.825 1.00 64.03 N ATOM 670 CA CYS A 388 -11.776 2.229 9.860 1.00 12.30 C ATOM 671 C CYS A 388 -11.857 3.698 9.454 1.00 14.24 C ATOM 672 O CYS A 388 -12.831 4.093 8.815 1.00 32.00 O ATOM 673 CB CYS A 388 -11.024 2.096 11.185 1.00 2.13 C ATOM 674 SG CYS A 388 -9.234 1.809 10.998 1.00 12.32 S ATOM 0 H CYS A 388 -10.540 0.680 9.179 1.00 64.03 H new ATOM 0 HA CYS A 388 -12.790 1.848 9.986 1.00 12.30 H new ATOM 0 HB2 CYS A 388 -11.177 3.003 11.770 1.00 2.13 H new ATOM 0 HB3 CYS A 388 -11.456 1.273 11.755 1.00 2.13 H new ATOM 0 HG CYS A 388 -8.653 1.923 12.155 1.00 12.32 H new ATOM 679 N GLY A 389 -10.845 4.466 9.831 1.00 73.12 N ATOM 680 CA GLY A 389 -10.816 5.881 9.501 1.00 73.21 C ATOM 681 C GLY A 389 -10.370 6.715 10.703 1.00 2.13 C ATOM 682 O GLY A 389 -10.961 7.753 10.997 1.00 44.23 O ATOM 0 H GLY A 389 -10.039 4.135 10.362 1.00 73.12 H new ATOM 0 HA2 GLY A 389 -10.137 6.049 8.665 1.00 73.21 H new ATOM 0 HA3 GLY A 389 -11.806 6.203 9.178 1.00 73.21 H new ATOM 686 N HIS A 390 -9.331 6.230 11.367 1.00 64.24 N ATOM 687 CA HIS A 390 -8.798 6.918 12.530 1.00 31.24 C ATOM 688 C HIS A 390 -7.497 7.630 12.155 1.00 53.32 C ATOM 689 O HIS A 390 -6.502 6.984 11.833 1.00 64.21 O ATOM 690 CB HIS A 390 -8.627 5.950 13.703 1.00 64.55 C ATOM 691 CG HIS A 390 -9.862 5.140 14.016 1.00 14.34 C ATOM 692 ND1 HIS A 390 -9.817 3.792 14.324 1.00 32.24 N ATOM 693 CD2 HIS A 390 -11.176 5.503 14.067 1.00 12.25 C ATOM 694 CE1 HIS A 390 -11.054 3.372 14.548 1.00 41.21 C ATOM 695 NE2 HIS A 390 -11.895 4.434 14.388 1.00 43.23 N ATOM 0 H HIS A 390 -8.844 5.368 11.121 1.00 64.24 H new ATOM 0 HA HIS A 390 -9.505 7.679 12.862 1.00 31.24 H new ATOM 0 HB2 HIS A 390 -7.805 5.269 13.482 1.00 64.55 H new ATOM 0 HB3 HIS A 390 -8.342 6.516 14.590 1.00 64.55 H new ATOM 0 HD2 HIS A 390 -11.565 6.492 13.878 1.00 12.25 H new ATOM 0 HE1 HIS A 390 -11.345 2.366 14.811 1.00 41.21 H new ATOM 0 HE2 HIS A 390 -12.909 4.411 14.497 1.00 43.23 H new ATOM 703 N LEU A 391 -7.548 8.953 12.208 1.00 10.24 N ATOM 704 CA LEU A 391 -6.386 9.761 11.878 1.00 72.32 C ATOM 705 C LEU A 391 -5.494 9.893 13.114 1.00 62.34 C ATOM 706 O LEU A 391 -5.894 9.519 14.215 1.00 2.12 O ATOM 707 CB LEU A 391 -6.818 11.103 11.285 1.00 51.41 C ATOM 708 CG LEU A 391 -7.389 11.058 9.866 1.00 32.52 C ATOM 709 CD1 LEU A 391 -8.546 10.061 9.773 1.00 15.21 C ATOM 710 CD2 LEU A 391 -7.796 12.455 9.394 1.00 73.45 C ATOM 0 H LEU A 391 -8.376 9.486 12.475 1.00 10.24 H new ATOM 0 HA LEU A 391 -5.790 9.274 11.106 1.00 72.32 H new ATOM 0 HB2 LEU A 391 -7.567 11.544 11.943 1.00 51.41 H new ATOM 0 HB3 LEU A 391 -5.958 11.772 11.288 1.00 51.41 H new ATOM 0 HG LEU A 391 -6.606 10.707 9.193 1.00 32.52 H new ATOM 0 HD11 LEU A 391 -8.934 10.048 8.755 1.00 15.21 H new ATOM 0 HD12 LEU A 391 -8.191 9.065 10.039 1.00 15.21 H new ATOM 0 HD13 LEU A 391 -9.339 10.358 10.460 1.00 15.21 H new ATOM 0 HD21 LEU A 391 -8.198 12.395 8.383 1.00 73.45 H new ATOM 0 HD22 LEU A 391 -8.556 12.858 10.063 1.00 73.45 H new ATOM 0 HD23 LEU A 391 -6.924 13.109 9.399 1.00 73.45 H new ATOM 722 N MET A 392 -4.302 10.425 12.889 1.00 4.21 N ATOM 723 CA MET A 392 -3.349 10.611 13.971 1.00 53.13 C ATOM 724 C MET A 392 -2.055 11.246 13.459 1.00 41.25 C ATOM 725 O MET A 392 -1.815 11.288 12.253 1.00 43.31 O ATOM 726 CB MET A 392 -3.035 9.258 14.613 1.00 52.33 C ATOM 727 CG MET A 392 -2.358 8.320 13.611 1.00 2.44 C ATOM 728 SD MET A 392 -2.374 6.648 14.235 1.00 65.14 S ATOM 729 CE MET A 392 -4.134 6.380 14.359 1.00 61.11 C ATOM 0 H MET A 392 -3.974 10.733 11.974 1.00 4.21 H new ATOM 0 HA MET A 392 -3.792 11.279 14.709 1.00 53.13 H new ATOM 0 HB2 MET A 392 -2.386 9.403 15.477 1.00 52.33 H new ATOM 0 HB3 MET A 392 -3.955 8.803 14.979 1.00 52.33 H new ATOM 0 HG2 MET A 392 -2.875 8.364 12.652 1.00 2.44 H new ATOM 0 HG3 MET A 392 -1.332 8.642 13.435 1.00 2.44 H new ATOM 0 HE1 MET A 392 -4.335 5.312 14.440 1.00 61.11 H new ATOM 0 HE2 MET A 392 -4.518 6.889 15.243 1.00 61.11 H new ATOM 0 HE3 MET A 392 -4.626 6.775 13.470 1.00 61.11 H new ATOM 739 N CYS A 393 -1.255 11.724 14.400 1.00 11.53 N ATOM 740 CA CYS A 393 0.009 12.355 14.059 1.00 13.44 C ATOM 741 C CYS A 393 1.096 11.280 14.053 1.00 64.50 C ATOM 742 O CYS A 393 1.398 10.691 15.090 1.00 64.00 O ATOM 743 CB CYS A 393 0.345 13.501 15.016 1.00 51.31 C ATOM 744 SG CYS A 393 0.121 13.111 16.790 1.00 54.24 S ATOM 0 H CYS A 393 -1.457 11.687 15.399 1.00 11.53 H new ATOM 0 HA CYS A 393 -0.061 12.805 13.069 1.00 13.44 H new ATOM 0 HB2 CYS A 393 1.380 13.801 14.852 1.00 51.31 H new ATOM 0 HB3 CYS A 393 -0.279 14.359 14.766 1.00 51.31 H new ATOM 0 HG CYS A 393 1.284 13.017 17.364 1.00 54.24 H new ATOM 749 N THR A 394 1.655 11.055 12.873 1.00 41.22 N ATOM 750 CA THR A 394 2.703 10.060 12.718 1.00 52.43 C ATOM 751 C THR A 394 3.641 10.081 13.926 1.00 32.02 C ATOM 752 O THR A 394 3.789 9.075 14.618 1.00 4.25 O ATOM 753 CB THR A 394 3.416 10.327 11.391 1.00 53.44 C ATOM 754 OG1 THR A 394 2.356 10.442 10.444 1.00 24.24 O ATOM 755 CG2 THR A 394 4.220 9.120 10.905 1.00 44.22 C ATOM 0 H THR A 394 1.402 11.545 12.015 1.00 41.22 H new ATOM 0 HA THR A 394 2.289 9.052 12.684 1.00 52.43 H new ATOM 0 HB THR A 394 4.080 11.184 11.502 1.00 53.44 H new ATOM 0 HG1 THR A 394 2.729 10.618 9.555 1.00 24.24 H new ATOM 0 HG21 THR A 394 4.706 9.363 9.960 1.00 44.22 H new ATOM 0 HG22 THR A 394 4.977 8.864 11.647 1.00 44.22 H new ATOM 0 HG23 THR A 394 3.551 8.271 10.761 1.00 44.22 H new ATOM 763 N SER A 395 4.249 11.238 14.143 1.00 63.21 N ATOM 764 CA SER A 395 5.169 11.403 15.256 1.00 71.32 C ATOM 765 C SER A 395 4.602 10.730 16.507 1.00 14.15 C ATOM 766 O SER A 395 5.331 10.073 17.248 1.00 21.31 O ATOM 767 CB SER A 395 5.445 12.883 15.527 1.00 32.25 C ATOM 768 OG SER A 395 6.396 13.425 14.615 1.00 72.10 O ATOM 0 H SER A 395 4.123 12.070 13.567 1.00 63.21 H new ATOM 0 HA SER A 395 6.114 10.928 14.993 1.00 71.32 H new ATOM 0 HB2 SER A 395 4.513 13.444 15.455 1.00 32.25 H new ATOM 0 HB3 SER A 395 5.812 13.003 16.547 1.00 32.25 H new ATOM 0 HG SER A 395 6.543 14.372 14.820 1.00 72.10 H new ATOM 774 N CYS A 396 3.305 10.918 16.705 1.00 30.20 N ATOM 775 CA CYS A 396 2.631 10.337 17.854 1.00 3.42 C ATOM 776 C CYS A 396 2.588 8.819 17.670 1.00 43.33 C ATOM 777 O CYS A 396 3.069 8.073 18.521 1.00 10.12 O ATOM 778 CB CYS A 396 1.234 10.929 18.049 1.00 75.45 C ATOM 779 SG CYS A 396 1.105 12.722 17.710 1.00 2.43 S ATOM 0 H CYS A 396 2.703 11.465 16.089 1.00 30.20 H new ATOM 0 HA CYS A 396 3.185 10.575 18.762 1.00 3.42 H new ATOM 0 HB2 CYS A 396 0.537 10.400 17.399 1.00 75.45 H new ATOM 0 HB3 CYS A 396 0.917 10.744 19.075 1.00 75.45 H new ATOM 0 HG CYS A 396 -0.085 12.994 17.262 1.00 2.43 H new ATOM 784 N LEU A 397 2.008 8.407 16.552 1.00 2.21 N ATOM 785 CA LEU A 397 1.896 6.991 16.245 1.00 42.40 C ATOM 786 C LEU A 397 3.199 6.286 16.629 1.00 55.22 C ATOM 787 O LEU A 397 3.179 5.146 17.090 1.00 73.13 O ATOM 788 CB LEU A 397 1.496 6.791 14.782 1.00 61.51 C ATOM 789 CG LEU A 397 1.745 5.396 14.204 1.00 62.11 C ATOM 790 CD1 LEU A 397 3.241 5.145 14.003 1.00 71.02 C ATOM 791 CD2 LEU A 397 1.095 4.318 15.073 1.00 31.13 C ATOM 0 H LEU A 397 1.611 9.029 15.848 1.00 2.21 H new ATOM 0 HA LEU A 397 1.101 6.534 16.834 1.00 42.40 H new ATOM 0 HB2 LEU A 397 0.435 7.020 14.681 1.00 61.51 H new ATOM 0 HB3 LEU A 397 2.038 7.516 14.175 1.00 61.51 H new ATOM 0 HG LEU A 397 1.275 5.344 13.222 1.00 62.11 H new ATOM 0 HD11 LEU A 397 3.390 4.147 13.591 1.00 71.02 H new ATOM 0 HD12 LEU A 397 3.645 5.886 13.313 1.00 71.02 H new ATOM 0 HD13 LEU A 397 3.755 5.223 14.961 1.00 71.02 H new ATOM 0 HD21 LEU A 397 1.287 3.336 14.640 1.00 31.13 H new ATOM 0 HD22 LEU A 397 1.514 4.359 16.078 1.00 31.13 H new ATOM 0 HD23 LEU A 397 0.020 4.489 15.121 1.00 31.13 H new ATOM 803 N THR A 398 4.300 6.994 16.425 1.00 72.14 N ATOM 804 CA THR A 398 5.609 6.450 16.744 1.00 51.04 C ATOM 805 C THR A 398 5.718 6.168 18.243 1.00 22.03 C ATOM 806 O THR A 398 6.127 5.080 18.646 1.00 72.12 O ATOM 807 CB THR A 398 6.666 7.430 16.231 1.00 52.30 C ATOM 808 OG1 THR A 398 6.285 7.676 14.880 1.00 64.21 O ATOM 809 CG2 THR A 398 8.051 6.791 16.118 1.00 44.23 C ATOM 0 H THR A 398 4.313 7.940 16.043 1.00 72.14 H new ATOM 0 HA THR A 398 5.769 5.490 16.252 1.00 51.04 H new ATOM 0 HB THR A 398 6.717 8.291 16.898 1.00 52.30 H new ATOM 0 HG1 THR A 398 6.917 8.304 14.471 1.00 64.21 H new ATOM 0 HG21 THR A 398 8.763 7.529 15.750 1.00 44.23 H new ATOM 0 HG22 THR A 398 8.370 6.437 17.099 1.00 44.23 H new ATOM 0 HG23 THR A 398 8.009 5.951 15.425 1.00 44.23 H new ATOM 817 N ALA A 399 5.346 7.167 19.029 1.00 12.35 N ATOM 818 CA ALA A 399 5.397 7.040 20.476 1.00 12.41 C ATOM 819 C ALA A 399 4.610 5.800 20.903 1.00 35.00 C ATOM 820 O ALA A 399 4.837 5.258 21.983 1.00 33.44 O ATOM 821 CB ALA A 399 4.862 8.321 21.120 1.00 33.12 C ATOM 0 H ALA A 399 5.008 8.068 18.692 1.00 12.35 H new ATOM 0 HA ALA A 399 6.425 6.910 20.814 1.00 12.41 H new ATOM 0 HB1 ALA A 399 4.900 8.226 22.205 1.00 33.12 H new ATOM 0 HB2 ALA A 399 5.473 9.168 20.808 1.00 33.12 H new ATOM 0 HB3 ALA A 399 3.831 8.483 20.806 1.00 33.12 H new ATOM 827 N TRP A 400 3.700 5.387 20.033 1.00 50.14 N ATOM 828 CA TRP A 400 2.878 4.221 20.306 1.00 73.31 C ATOM 829 C TRP A 400 3.655 2.980 19.862 1.00 20.33 C ATOM 830 O TRP A 400 4.020 2.143 20.687 1.00 15.43 O ATOM 831 CB TRP A 400 1.511 4.343 19.630 1.00 13.00 C ATOM 832 CG TRP A 400 0.835 3.000 19.344 1.00 3.23 C ATOM 833 CD1 TRP A 400 0.679 2.391 18.161 1.00 32.43 C ATOM 834 CD2 TRP A 400 0.228 2.120 20.313 1.00 32.13 C ATOM 835 NE1 TRP A 400 0.018 1.187 18.296 1.00 35.22 N ATOM 836 CE2 TRP A 400 -0.265 1.017 19.647 1.00 72.05 C ATOM 837 CE3 TRP A 400 0.099 2.251 21.707 1.00 5.33 C ATOM 838 CZ2 TRP A 400 -0.920 -0.039 20.291 1.00 32.12 C ATOM 839 CZ3 TRP A 400 -0.558 1.187 22.337 1.00 43.31 C ATOM 840 CH2 TRP A 400 -1.060 0.070 21.680 1.00 41.11 C ATOM 0 H TRP A 400 3.514 5.840 19.138 1.00 50.14 H new ATOM 0 HA TRP A 400 2.669 4.138 21.373 1.00 73.31 H new ATOM 0 HB2 TRP A 400 0.856 4.940 20.264 1.00 13.00 H new ATOM 0 HB3 TRP A 400 1.628 4.886 18.692 1.00 13.00 H new ATOM 0 HD1 TRP A 400 1.027 2.792 17.220 1.00 32.43 H new ATOM 0 HE1 TRP A 400 -0.219 0.541 17.543 1.00 35.22 H new ATOM 0 HE3 TRP A 400 0.477 3.105 22.249 1.00 5.33 H new ATOM 0 HZ2 TRP A 400 -1.297 -0.892 19.746 1.00 32.12 H new ATOM 0 HZ3 TRP A 400 -0.683 1.238 23.408 1.00 43.31 H new ATOM 0 HH2 TRP A 400 -1.556 -0.710 22.238 1.00 41.11 H new ATOM 851 N GLN A 401 3.886 2.900 18.560 1.00 31.51 N ATOM 852 CA GLN A 401 4.613 1.775 17.997 1.00 63.21 C ATOM 853 C GLN A 401 5.941 1.580 18.731 1.00 4.31 C ATOM 854 O GLN A 401 6.555 0.518 18.640 1.00 3.31 O ATOM 855 CB GLN A 401 4.839 1.964 16.496 1.00 44.53 C ATOM 856 CG GLN A 401 3.520 1.873 15.727 1.00 51.24 C ATOM 857 CD GLN A 401 3.356 0.496 15.081 1.00 33.30 C ATOM 858 OE1 GLN A 401 4.288 -0.284 14.976 1.00 60.21 O ATOM 859 NE2 GLN A 401 2.121 0.241 14.656 1.00 4.10 N ATOM 0 H GLN A 401 3.583 3.596 17.879 1.00 31.51 H new ATOM 0 HA GLN A 401 4.011 0.876 18.130 1.00 63.21 H new ATOM 0 HB2 GLN A 401 5.304 2.933 16.314 1.00 44.53 H new ATOM 0 HB3 GLN A 401 5.530 1.205 16.130 1.00 44.53 H new ATOM 0 HG2 GLN A 401 2.687 2.063 16.403 1.00 51.24 H new ATOM 0 HG3 GLN A 401 3.489 2.645 14.958 1.00 51.24 H new ATOM 0 HE21 GLN A 401 1.386 0.939 14.775 1.00 4.10 H new ATOM 0 HE22 GLN A 401 1.909 -0.652 14.211 1.00 4.10 H new ATOM 868 N GLU A 402 6.346 2.622 19.442 1.00 11.34 N ATOM 869 CA GLU A 402 7.590 2.579 20.192 1.00 40.42 C ATOM 870 C GLU A 402 7.801 1.188 20.792 1.00 74.32 C ATOM 871 O GLU A 402 8.759 0.498 20.447 1.00 74.32 O ATOM 872 CB GLU A 402 7.612 3.655 21.280 1.00 30.40 C ATOM 873 CG GLU A 402 8.386 4.890 20.815 1.00 20.30 C ATOM 874 CD GLU A 402 8.564 5.888 21.960 1.00 5.34 C ATOM 875 OE1 GLU A 402 7.611 6.149 22.710 1.00 45.03 O ATOM 876 OE2 GLU A 402 9.745 6.400 22.059 1.00 74.11 O ATOM 0 H GLU A 402 5.835 3.502 19.515 1.00 11.34 H new ATOM 0 HA GLU A 402 8.412 2.785 19.506 1.00 40.42 H new ATOM 0 HB2 GLU A 402 6.591 3.937 21.538 1.00 30.40 H new ATOM 0 HB3 GLU A 402 8.070 3.254 22.184 1.00 30.40 H new ATOM 0 HG2 GLU A 402 9.362 4.590 20.434 1.00 20.30 H new ATOM 0 HG3 GLU A 402 7.856 5.367 19.991 1.00 20.30 H new ATOM 884 N SER A 403 6.890 0.817 21.679 1.00 34.14 N ATOM 885 CA SER A 403 6.963 -0.480 22.331 1.00 44.05 C ATOM 886 C SER A 403 5.687 -1.277 22.055 1.00 61.41 C ATOM 887 O SER A 403 5.695 -2.506 22.106 1.00 23.31 O ATOM 888 CB SER A 403 7.179 -0.328 23.838 1.00 63.15 C ATOM 889 OG SER A 403 7.527 -1.565 24.454 1.00 12.24 O ATOM 0 H SER A 403 6.097 1.392 21.962 1.00 34.14 H new ATOM 0 HA SER A 403 7.817 -1.021 21.922 1.00 44.05 H new ATOM 0 HB2 SER A 403 7.968 0.402 24.020 1.00 63.15 H new ATOM 0 HB3 SER A 403 6.271 0.063 24.297 1.00 63.15 H new ATOM 0 HG SER A 403 7.658 -1.426 25.415 1.00 12.24 H new ATOM 895 N ASP A 404 4.621 -0.545 21.769 1.00 75.45 N ATOM 896 CA ASP A 404 3.339 -1.169 21.485 1.00 41.13 C ATOM 897 C ASP A 404 3.307 -1.615 20.022 1.00 61.44 C ATOM 898 O ASP A 404 3.755 -2.713 19.694 1.00 34.30 O ATOM 899 CB ASP A 404 2.188 -0.186 21.704 1.00 14.22 C ATOM 900 CG ASP A 404 1.782 0.019 23.165 1.00 33.22 C ATOM 901 OD1 ASP A 404 1.419 -0.937 23.867 1.00 13.20 O ATOM 902 OD2 ASP A 404 1.850 1.237 23.584 1.00 21.14 O ATOM 0 H ASP A 404 4.618 0.474 21.728 1.00 75.45 H new ATOM 0 HA ASP A 404 3.221 -2.019 22.158 1.00 41.13 H new ATOM 0 HB2 ASP A 404 2.469 0.779 21.282 1.00 14.22 H new ATOM 0 HB3 ASP A 404 1.319 -0.537 21.147 1.00 14.22 H new ATOM 908 N GLY A 405 2.773 -0.741 19.181 1.00 25.30 N ATOM 909 CA GLY A 405 2.677 -1.032 17.761 1.00 42.25 C ATOM 910 C GLY A 405 1.677 -2.160 17.498 1.00 3.21 C ATOM 911 O GLY A 405 1.800 -2.886 16.513 1.00 53.12 O ATOM 0 H GLY A 405 2.402 0.169 19.456 1.00 25.30 H new ATOM 0 HA2 GLY A 405 2.369 -0.136 17.223 1.00 42.25 H new ATOM 0 HA3 GLY A 405 3.657 -1.314 17.377 1.00 42.25 H new ATOM 915 N GLN A 406 0.710 -2.271 18.397 1.00 64.30 N ATOM 916 CA GLN A 406 -0.310 -3.299 18.275 1.00 50.40 C ATOM 917 C GLN A 406 -1.483 -2.785 17.437 1.00 23.01 C ATOM 918 O GLN A 406 -2.586 -2.606 17.951 1.00 3.50 O ATOM 919 CB GLN A 406 -0.784 -3.767 19.652 1.00 21.02 C ATOM 920 CG GLN A 406 -0.017 -5.013 20.101 1.00 13.44 C ATOM 921 CD GLN A 406 -0.763 -6.288 19.704 1.00 63.34 C ATOM 922 OE1 GLN A 406 -1.624 -6.291 18.839 1.00 2.03 O ATOM 923 NE2 GLN A 406 -0.385 -7.369 20.380 1.00 23.04 N ATOM 0 H GLN A 406 0.611 -1.666 19.213 1.00 64.30 H new ATOM 0 HA GLN A 406 0.126 -4.158 17.766 1.00 50.40 H new ATOM 0 HB2 GLN A 406 -0.644 -2.968 20.380 1.00 21.02 H new ATOM 0 HB3 GLN A 406 -1.851 -3.985 19.619 1.00 21.02 H new ATOM 0 HG2 GLN A 406 0.977 -5.014 19.653 1.00 13.44 H new ATOM 0 HG3 GLN A 406 0.121 -4.990 21.182 1.00 13.44 H new ATOM 0 HE21 GLN A 406 0.342 -7.297 21.092 1.00 23.04 H new ATOM 0 HE22 GLN A 406 -0.822 -8.270 20.187 1.00 23.04 H new ATOM 932 N GLY A 407 -1.204 -2.563 16.161 1.00 73.00 N ATOM 933 CA GLY A 407 -2.222 -2.074 15.247 1.00 54.30 C ATOM 934 C GLY A 407 -2.627 -0.640 15.594 1.00 14.42 C ATOM 935 O GLY A 407 -1.911 0.054 16.314 1.00 12.41 O ATOM 0 H GLY A 407 -0.288 -2.713 15.739 1.00 73.00 H new ATOM 0 HA2 GLY A 407 -1.846 -2.112 14.224 1.00 54.30 H new ATOM 0 HA3 GLY A 407 -3.097 -2.723 15.290 1.00 54.30 H new ATOM 939 N CYS A 408 -3.774 -0.238 15.066 1.00 34.32 N ATOM 940 CA CYS A 408 -4.283 1.100 15.311 1.00 13.52 C ATOM 941 C CYS A 408 -4.464 1.277 16.820 1.00 30.12 C ATOM 942 O CYS A 408 -5.139 0.477 17.466 1.00 63.51 O ATOM 943 CB CYS A 408 -5.583 1.360 14.546 1.00 3.45 C ATOM 944 SG CYS A 408 -5.979 3.128 14.285 1.00 21.22 S ATOM 0 H CYS A 408 -4.365 -0.816 14.469 1.00 34.32 H new ATOM 0 HA CYS A 408 -3.568 1.836 14.943 1.00 13.52 H new ATOM 0 HB2 CYS A 408 -5.521 0.869 13.575 1.00 3.45 H new ATOM 0 HB3 CYS A 408 -6.406 0.894 15.087 1.00 3.45 H new ATOM 0 HG CYS A 408 -7.180 3.237 13.800 1.00 21.22 H new ATOM 949 N PRO A 409 -3.833 2.358 17.352 1.00 30.22 N ATOM 950 CA PRO A 409 -3.918 2.650 18.773 1.00 24.50 C ATOM 951 C PRO A 409 -5.287 3.228 19.133 1.00 13.34 C ATOM 952 O PRO A 409 -5.550 3.534 20.296 1.00 62.04 O ATOM 953 CB PRO A 409 -2.775 3.614 19.045 1.00 22.04 C ATOM 954 CG PRO A 409 -2.382 4.187 17.693 1.00 12.45 C ATOM 955 CD PRO A 409 -3.025 3.327 16.618 1.00 53.41 C ATOM 0 HA PRO A 409 -3.825 1.758 19.392 1.00 24.50 H new ATOM 0 HB2 PRO A 409 -3.085 4.404 19.729 1.00 22.04 H new ATOM 0 HB3 PRO A 409 -1.934 3.101 19.511 1.00 22.04 H new ATOM 0 HG2 PRO A 409 -2.716 5.221 17.605 1.00 12.45 H new ATOM 0 HG3 PRO A 409 -1.298 4.191 17.581 1.00 12.45 H new ATOM 0 HD2 PRO A 409 -3.639 3.927 15.946 1.00 53.41 H new ATOM 0 HD3 PRO A 409 -2.272 2.831 16.005 1.00 53.41 H new ATOM 963 N PHE A 410 -6.124 3.361 18.115 1.00 14.32 N ATOM 964 CA PHE A 410 -7.461 3.898 18.310 1.00 23.10 C ATOM 965 C PHE A 410 -8.485 2.773 18.475 1.00 64.01 C ATOM 966 O PHE A 410 -9.375 2.858 19.319 1.00 22.15 O ATOM 967 CB PHE A 410 -7.805 4.706 17.057 1.00 34.42 C ATOM 968 CG PHE A 410 -7.294 6.147 17.086 1.00 3.31 C ATOM 969 CD1 PHE A 410 -5.985 6.399 17.357 1.00 42.13 C ATOM 970 CD2 PHE A 410 -8.148 7.177 16.841 1.00 23.02 C ATOM 971 CE1 PHE A 410 -5.510 7.737 17.384 1.00 70.04 C ATOM 972 CE2 PHE A 410 -7.673 8.515 16.868 1.00 21.01 C ATOM 973 CZ PHE A 410 -6.364 8.767 17.139 1.00 70.33 C ATOM 0 H PHE A 410 -5.903 3.106 17.152 1.00 14.32 H new ATOM 0 HA PHE A 410 -7.488 4.512 19.210 1.00 23.10 H new ATOM 0 HB2 PHE A 410 -7.388 4.201 16.186 1.00 34.42 H new ATOM 0 HB3 PHE A 410 -8.888 4.718 16.931 1.00 34.42 H new ATOM 0 HD1 PHE A 410 -5.307 5.581 17.552 1.00 42.13 H new ATOM 0 HD2 PHE A 410 -9.187 6.977 16.626 1.00 23.02 H new ATOM 0 HE1 PHE A 410 -4.471 7.937 17.599 1.00 70.04 H new ATOM 0 HE2 PHE A 410 -8.351 9.333 16.673 1.00 21.01 H new ATOM 0 HZ PHE A 410 -6.003 9.785 17.160 1.00 70.33 H new ATOM 983 N CYS A 411 -8.324 1.745 17.654 1.00 11.15 N ATOM 984 CA CYS A 411 -9.223 0.605 17.699 1.00 75.33 C ATOM 985 C CYS A 411 -8.436 -0.609 18.195 1.00 64.54 C ATOM 986 O CYS A 411 -8.924 -1.737 18.137 1.00 14.21 O ATOM 987 CB CYS A 411 -9.876 0.346 16.339 1.00 24.52 C ATOM 988 SG CYS A 411 -8.993 1.077 14.913 1.00 64.53 S ATOM 0 H CYS A 411 -7.585 1.678 16.954 1.00 11.15 H new ATOM 0 HA CYS A 411 -10.042 0.811 18.388 1.00 75.33 H new ATOM 0 HB2 CYS A 411 -9.953 -0.731 16.188 1.00 24.52 H new ATOM 0 HB3 CYS A 411 -10.893 0.739 16.359 1.00 24.52 H new ATOM 0 HG CYS A 411 -9.102 2.372 14.953 1.00 64.53 H new ATOM 993 N ARG A 412 -7.229 -0.338 18.670 1.00 12.03 N ATOM 994 CA ARG A 412 -6.369 -1.394 19.176 1.00 61.32 C ATOM 995 C ARG A 412 -6.503 -2.648 18.310 1.00 75.51 C ATOM 996 O ARG A 412 -6.375 -3.767 18.806 1.00 13.54 O ATOM 997 CB ARG A 412 -6.718 -1.743 20.624 1.00 1.11 C ATOM 998 CG ARG A 412 -5.967 -0.837 21.602 1.00 12.13 C ATOM 999 CD ARG A 412 -4.480 -1.192 21.647 1.00 4.02 C ATOM 1000 NE ARG A 412 -4.285 -2.466 22.375 1.00 72.15 N ATOM 1001 CZ ARG A 412 -4.362 -2.591 23.717 1.00 41.14 C ATOM 1002 NH1 ARG A 412 -4.630 -1.518 24.490 1.00 11.52 N ATOM 1003 NH2 ARG A 412 -4.171 -3.778 24.261 1.00 25.00 N ATOM 0 H ARG A 412 -6.826 0.598 18.715 1.00 12.03 H new ATOM 0 HA ARG A 412 -5.342 -1.031 19.140 1.00 61.32 H new ATOM 0 HB2 ARG A 412 -7.792 -1.639 20.778 1.00 1.11 H new ATOM 0 HB3 ARG A 412 -6.467 -2.785 20.822 1.00 1.11 H new ATOM 0 HG2 ARG A 412 -6.087 0.205 21.304 1.00 12.13 H new ATOM 0 HG3 ARG A 412 -6.398 -0.935 22.598 1.00 12.13 H new ATOM 0 HD2 ARG A 412 -4.088 -1.279 20.634 1.00 4.02 H new ATOM 0 HD3 ARG A 412 -3.922 -0.394 22.137 1.00 4.02 H new ATOM 0 HE ARG A 412 -4.079 -3.302 21.828 1.00 72.15 H new ATOM 0 HH11 ARG A 412 -4.776 -0.604 24.061 1.00 11.52 H new ATOM 0 HH12 ARG A 412 -4.687 -1.621 25.503 1.00 11.52 H new ATOM 0 HH21 ARG A 412 -3.969 -4.584 23.669 1.00 25.00 H new ATOM 0 HH22 ARG A 412 -4.226 -3.890 25.273 1.00 25.00 H new ATOM 1016 N CYS A 413 -6.760 -2.421 17.030 1.00 12.43 N ATOM 1017 CA CYS A 413 -6.914 -3.518 16.091 1.00 65.33 C ATOM 1018 C CYS A 413 -5.934 -3.302 14.935 1.00 14.21 C ATOM 1019 O CYS A 413 -5.659 -2.165 14.555 1.00 50.11 O ATOM 1020 CB CYS A 413 -8.357 -3.645 15.600 1.00 50.05 C ATOM 1021 SG CYS A 413 -8.609 -5.277 14.811 1.00 22.22 S ATOM 0 H CYS A 413 -6.865 -1.492 16.621 1.00 12.43 H new ATOM 0 HA CYS A 413 -6.686 -4.460 16.589 1.00 65.33 H new ATOM 0 HB2 CYS A 413 -9.046 -3.526 16.436 1.00 50.05 H new ATOM 0 HB3 CYS A 413 -8.579 -2.850 14.888 1.00 50.05 H new ATOM 0 HG CYS A 413 -9.838 -5.375 14.400 1.00 22.22 H new ATOM 1027 N GLU A 414 -5.435 -4.411 14.409 1.00 55.42 N ATOM 1028 CA GLU A 414 -4.493 -4.356 13.304 1.00 21.43 C ATOM 1029 C GLU A 414 -4.987 -3.384 12.232 1.00 55.04 C ATOM 1030 O GLU A 414 -6.185 -3.124 12.129 1.00 34.20 O ATOM 1031 CB GLU A 414 -4.258 -5.749 12.716 1.00 45.25 C ATOM 1032 CG GLU A 414 -3.015 -5.764 11.823 1.00 3.12 C ATOM 1033 CD GLU A 414 -2.795 -7.150 11.213 1.00 42.41 C ATOM 1034 OE1 GLU A 414 -2.977 -7.329 10.000 1.00 54.34 O ATOM 1035 OE2 GLU A 414 -2.419 -8.059 12.047 1.00 75.40 O ATOM 0 H GLU A 414 -5.665 -5.352 14.727 1.00 55.42 H new ATOM 0 HA GLU A 414 -3.538 -3.991 13.683 1.00 21.43 H new ATOM 0 HB2 GLU A 414 -4.140 -6.473 13.522 1.00 45.25 H new ATOM 0 HB3 GLU A 414 -5.130 -6.055 12.138 1.00 45.25 H new ATOM 0 HG2 GLU A 414 -3.125 -5.026 11.028 1.00 3.12 H new ATOM 0 HG3 GLU A 414 -2.140 -5.476 12.406 1.00 3.12 H new ATOM 1043 N ILE A 415 -4.040 -2.873 11.459 1.00 0.24 N ATOM 1044 CA ILE A 415 -4.364 -1.935 10.398 1.00 14.32 C ATOM 1045 C ILE A 415 -4.332 -2.662 9.053 1.00 75.43 C ATOM 1046 O ILE A 415 -3.679 -3.696 8.917 1.00 15.03 O ATOM 1047 CB ILE A 415 -3.442 -0.716 10.460 1.00 2.32 C ATOM 1048 CG1 ILE A 415 -3.047 -0.400 11.904 1.00 25.12 C ATOM 1049 CG2 ILE A 415 -4.078 0.489 9.763 1.00 4.05 C ATOM 1050 CD1 ILE A 415 -2.029 0.742 11.957 1.00 33.41 C ATOM 0 H ILE A 415 -3.047 -3.091 11.547 1.00 0.24 H new ATOM 0 HA ILE A 415 -5.375 -1.548 10.528 1.00 14.32 H new ATOM 0 HB ILE A 415 -2.525 -0.954 9.920 1.00 2.32 H new ATOM 0 HG12 ILE A 415 -3.934 -0.128 12.476 1.00 25.12 H new ATOM 0 HG13 ILE A 415 -2.626 -1.289 12.373 1.00 25.12 H new ATOM 0 HG21 ILE A 415 -3.402 1.342 9.822 1.00 4.05 H new ATOM 0 HG22 ILE A 415 -4.267 0.247 8.717 1.00 4.05 H new ATOM 0 HG23 ILE A 415 -5.019 0.738 10.253 1.00 4.05 H new ATOM 0 HD11 ILE A 415 -1.765 0.946 12.995 1.00 33.41 H new ATOM 0 HD12 ILE A 415 -1.134 0.457 11.404 1.00 33.41 H new ATOM 0 HD13 ILE A 415 -2.462 1.637 11.510 1.00 33.41 H new ATOM 1062 N LYS A 416 -5.046 -2.094 8.092 1.00 62.12 N ATOM 1063 CA LYS A 416 -5.107 -2.676 6.762 1.00 54.23 C ATOM 1064 C LYS A 416 -4.574 -1.666 5.743 1.00 32.31 C ATOM 1065 O LYS A 416 -3.812 -2.026 4.847 1.00 22.55 O ATOM 1066 CB LYS A 416 -6.524 -3.167 6.457 1.00 61.22 C ATOM 1067 CG LYS A 416 -7.232 -3.626 7.733 1.00 3.14 C ATOM 1068 CD LYS A 416 -6.579 -4.889 8.299 1.00 70.15 C ATOM 1069 CE LYS A 416 -7.613 -5.775 8.996 1.00 22.23 C ATOM 1070 NZ LYS A 416 -6.971 -6.584 10.057 1.00 50.31 N ATOM 0 H LYS A 416 -5.587 -1.237 8.208 1.00 62.12 H new ATOM 0 HA LYS A 416 -4.469 -3.557 6.702 1.00 54.23 H new ATOM 0 HB2 LYS A 416 -7.096 -2.367 5.987 1.00 61.22 H new ATOM 0 HB3 LYS A 416 -6.482 -3.990 5.744 1.00 61.22 H new ATOM 0 HG2 LYS A 416 -7.199 -2.831 8.477 1.00 3.14 H new ATOM 0 HG3 LYS A 416 -8.283 -3.820 7.520 1.00 3.14 H new ATOM 0 HD2 LYS A 416 -6.100 -5.447 7.494 1.00 70.15 H new ATOM 0 HD3 LYS A 416 -5.796 -4.613 9.005 1.00 70.15 H new ATOM 0 HE2 LYS A 416 -8.399 -5.156 9.428 1.00 22.23 H new ATOM 0 HE3 LYS A 416 -8.089 -6.431 8.267 1.00 22.23 H new ATOM 0 HZ1 LYS A 416 -7.513 -7.460 10.202 1.00 50.31 H new ATOM 0 HZ2 LYS A 416 -5.999 -6.822 9.772 1.00 50.31 H new ATOM 0 HZ3 LYS A 416 -6.949 -6.040 10.943 1.00 50.31 H new ATOM 1083 N GLY A 417 -4.996 -0.422 5.914 1.00 33.21 N ATOM 1084 CA GLY A 417 -4.571 0.642 5.021 1.00 63.02 C ATOM 1085 C GLY A 417 -3.982 1.815 5.807 1.00 51.20 C ATOM 1086 O GLY A 417 -4.489 2.172 6.869 1.00 14.12 O ATOM 0 H GLY A 417 -5.628 -0.127 6.658 1.00 33.21 H new ATOM 0 HA2 GLY A 417 -3.828 0.259 4.321 1.00 63.02 H new ATOM 0 HA3 GLY A 417 -5.419 0.986 4.429 1.00 63.02 H new ATOM 1090 N THR A 418 -2.920 2.383 5.255 1.00 61.44 N ATOM 1091 CA THR A 418 -2.257 3.508 5.891 1.00 42.22 C ATOM 1092 C THR A 418 -1.464 4.313 4.859 1.00 23.41 C ATOM 1093 O THR A 418 -0.520 3.800 4.260 1.00 43.34 O ATOM 1094 CB THR A 418 -1.394 2.965 7.032 1.00 52.42 C ATOM 1095 OG1 THR A 418 -0.698 1.867 6.449 1.00 54.02 O ATOM 1096 CG2 THR A 418 -2.229 2.329 8.145 1.00 3.13 C ATOM 0 H THR A 418 -2.502 2.085 4.374 1.00 61.44 H new ATOM 0 HA THR A 418 -2.980 4.205 6.315 1.00 42.22 H new ATOM 0 HB THR A 418 -0.791 3.772 7.447 1.00 52.42 H new ATOM 0 HG1 THR A 418 -0.376 2.120 5.559 1.00 54.02 H new ATOM 0 HG21 THR A 418 -1.569 1.960 8.930 1.00 3.13 H new ATOM 0 HG22 THR A 418 -2.907 3.074 8.562 1.00 3.13 H new ATOM 0 HG23 THR A 418 -2.807 1.500 7.737 1.00 3.13 H new ATOM 1104 N GLU A 419 -1.876 5.559 4.684 1.00 53.33 N ATOM 1105 CA GLU A 419 -1.216 6.440 3.735 1.00 72.43 C ATOM 1106 C GLU A 419 -1.095 7.850 4.315 1.00 41.22 C ATOM 1107 O GLU A 419 -1.928 8.269 5.117 1.00 22.01 O ATOM 1108 CB GLU A 419 -1.958 6.459 2.397 1.00 72.12 C ATOM 1109 CG GLU A 419 -3.354 7.066 2.553 1.00 60.23 C ATOM 1110 CD GLU A 419 -4.382 5.992 2.915 1.00 64.43 C ATOM 1111 OE1 GLU A 419 -4.022 4.964 3.509 1.00 44.44 O ATOM 1112 OE2 GLU A 419 -5.593 6.254 2.558 1.00 72.13 O ATOM 0 H GLU A 419 -2.659 5.980 5.183 1.00 53.33 H new ATOM 0 HA GLU A 419 -0.212 6.057 3.551 1.00 72.43 H new ATOM 0 HB2 GLU A 419 -1.387 7.034 1.668 1.00 72.12 H new ATOM 0 HB3 GLU A 419 -2.040 5.444 2.008 1.00 72.12 H new ATOM 0 HG2 GLU A 419 -3.336 7.833 3.327 1.00 60.23 H new ATOM 0 HG3 GLU A 419 -3.647 7.557 1.625 1.00 60.23 H new ATOM 1120 N PRO A 420 -0.023 8.562 3.875 1.00 51.52 N ATOM 1121 CA PRO A 420 0.218 9.917 4.342 1.00 52.24 C ATOM 1122 C PRO A 420 -0.751 10.904 3.686 1.00 63.42 C ATOM 1123 O PRO A 420 -0.568 11.283 2.530 1.00 73.41 O ATOM 1124 CB PRO A 420 1.672 10.198 4.001 1.00 24.43 C ATOM 1125 CG PRO A 420 2.059 9.173 2.947 1.00 52.32 C ATOM 1126 CD PRO A 420 0.984 8.099 2.925 1.00 70.21 C ATOM 0 HA PRO A 420 0.044 10.030 5.412 1.00 52.24 H new ATOM 0 HB2 PRO A 420 1.795 11.213 3.623 1.00 24.43 H new ATOM 0 HB3 PRO A 420 2.305 10.108 4.884 1.00 24.43 H new ATOM 0 HG2 PRO A 420 2.146 9.646 1.969 1.00 52.32 H new ATOM 0 HG3 PRO A 420 3.031 8.736 3.178 1.00 52.32 H new ATOM 0 HD2 PRO A 420 0.562 7.982 1.927 1.00 70.21 H new ATOM 0 HD3 PRO A 420 1.387 7.129 3.217 1.00 70.21 H new ATOM 1134 N ILE A 421 -1.759 11.291 4.452 1.00 14.23 N ATOM 1135 CA ILE A 421 -2.757 12.226 3.960 1.00 2.44 C ATOM 1136 C ILE A 421 -2.497 13.607 4.566 1.00 52.44 C ATOM 1137 O ILE A 421 -1.543 13.789 5.320 1.00 20.02 O ATOM 1138 CB ILE A 421 -4.167 11.694 4.225 1.00 43.23 C ATOM 1139 CG1 ILE A 421 -4.551 11.866 5.696 1.00 65.51 C ATOM 1140 CG2 ILE A 421 -4.300 10.242 3.763 1.00 21.40 C ATOM 1141 CD1 ILE A 421 -5.102 13.268 5.959 1.00 55.12 C ATOM 0 H ILE A 421 -1.907 10.974 5.410 1.00 14.23 H new ATOM 0 HA ILE A 421 -2.680 12.332 2.878 1.00 2.44 H new ATOM 0 HB ILE A 421 -4.871 12.284 3.638 1.00 43.23 H new ATOM 0 HG12 ILE A 421 -5.298 11.121 5.970 1.00 65.51 H new ATOM 0 HG13 ILE A 421 -3.679 11.690 6.326 1.00 65.51 H new ATOM 0 HG21 ILE A 421 -5.311 9.888 3.963 1.00 21.40 H new ATOM 0 HG22 ILE A 421 -4.098 10.181 2.694 1.00 21.40 H new ATOM 0 HG23 ILE A 421 -3.585 9.621 4.303 1.00 21.40 H new ATOM 0 HD11 ILE A 421 -5.367 13.363 7.012 1.00 55.12 H new ATOM 0 HD12 ILE A 421 -4.344 14.010 5.707 1.00 55.12 H new ATOM 0 HD13 ILE A 421 -5.988 13.432 5.346 1.00 55.12 H new ATOM 1153 N ILE A 422 -3.363 14.545 4.212 1.00 54.50 N ATOM 1154 CA ILE A 422 -3.240 15.905 4.711 1.00 61.41 C ATOM 1155 C ILE A 422 -4.636 16.492 4.929 1.00 4.01 C ATOM 1156 O ILE A 422 -5.394 16.671 3.977 1.00 64.20 O ATOM 1157 CB ILE A 422 -2.360 16.740 3.778 1.00 31.34 C ATOM 1158 CG1 ILE A 422 -0.913 16.244 3.800 1.00 61.52 C ATOM 1159 CG2 ILE A 422 -2.461 18.228 4.117 1.00 2.41 C ATOM 1160 CD1 ILE A 422 0.013 17.223 3.077 1.00 44.42 C ATOM 0 H ILE A 422 -4.153 14.390 3.586 1.00 54.50 H new ATOM 0 HA ILE A 422 -2.737 15.912 5.678 1.00 61.41 H new ATOM 0 HB ILE A 422 -2.727 16.616 2.759 1.00 31.34 H new ATOM 0 HG12 ILE A 422 -0.583 16.120 4.831 1.00 61.52 H new ATOM 0 HG13 ILE A 422 -0.853 15.264 3.326 1.00 61.52 H new ATOM 0 HG21 ILE A 422 -1.826 18.799 3.440 1.00 2.41 H new ATOM 0 HG22 ILE A 422 -3.495 18.556 4.009 1.00 2.41 H new ATOM 0 HG23 ILE A 422 -2.134 18.390 5.144 1.00 2.41 H new ATOM 0 HD11 ILE A 422 1.035 16.847 3.107 1.00 44.42 H new ATOM 0 HD12 ILE A 422 -0.305 17.326 2.040 1.00 44.42 H new ATOM 0 HD13 ILE A 422 -0.030 18.195 3.568 1.00 44.42 H new ATOM 1172 N VAL A 423 -4.933 16.776 6.189 1.00 60.04 N ATOM 1173 CA VAL A 423 -6.224 17.340 6.544 1.00 73.50 C ATOM 1174 C VAL A 423 -6.166 18.862 6.408 1.00 52.33 C ATOM 1175 O VAL A 423 -5.135 19.475 6.682 1.00 73.24 O ATOM 1176 CB VAL A 423 -6.628 16.880 7.946 1.00 22.34 C ATOM 1177 CG1 VAL A 423 -8.041 17.353 8.293 1.00 61.20 C ATOM 1178 CG2 VAL A 423 -6.510 15.360 8.080 1.00 2.23 C ATOM 0 H VAL A 423 -4.302 16.626 6.976 1.00 60.04 H new ATOM 0 HA VAL A 423 -6.997 16.982 5.864 1.00 73.50 H new ATOM 0 HB VAL A 423 -5.939 17.334 8.658 1.00 22.34 H new ATOM 0 HG11 VAL A 423 -8.303 17.012 9.295 1.00 61.20 H new ATOM 0 HG12 VAL A 423 -8.079 18.442 8.258 1.00 61.20 H new ATOM 0 HG13 VAL A 423 -8.749 16.942 7.573 1.00 61.20 H new ATOM 0 HG21 VAL A 423 -6.803 15.060 9.086 1.00 2.23 H new ATOM 0 HG22 VAL A 423 -7.164 14.879 7.353 1.00 2.23 H new ATOM 0 HG23 VAL A 423 -5.479 15.058 7.897 1.00 2.23 H new ATOM 1188 N ASP A 424 -7.286 19.430 5.985 1.00 72.34 N ATOM 1189 CA ASP A 424 -7.376 20.869 5.809 1.00 42.34 C ATOM 1190 C ASP A 424 -8.646 21.384 6.488 1.00 35.31 C ATOM 1191 O ASP A 424 -9.677 20.713 6.474 1.00 74.12 O ATOM 1192 CB ASP A 424 -7.450 21.239 4.326 1.00 5.40 C ATOM 1193 CG ASP A 424 -6.871 22.611 3.972 1.00 13.14 C ATOM 1194 OD1 ASP A 424 -5.698 22.901 4.251 1.00 34.14 O ATOM 1195 OD2 ASP A 424 -7.690 23.411 3.377 1.00 30.22 O ATOM 0 H ASP A 424 -8.139 18.919 5.759 1.00 72.34 H new ATOM 0 HA ASP A 424 -6.486 21.318 6.249 1.00 42.34 H new ATOM 0 HB2 ASP A 424 -6.922 20.479 3.751 1.00 5.40 H new ATOM 0 HB3 ASP A 424 -8.493 21.209 4.011 1.00 5.40 H new ATOM 1201 N PRO A 425 -8.528 22.601 7.082 1.00 1.24 N ATOM 1202 CA PRO A 425 -9.655 23.213 7.766 1.00 45.31 C ATOM 1203 C PRO A 425 -10.671 23.763 6.763 1.00 12.14 C ATOM 1204 O PRO A 425 -10.402 23.812 5.564 1.00 30.51 O ATOM 1205 CB PRO A 425 -9.043 24.293 8.644 1.00 22.40 C ATOM 1206 CG PRO A 425 -7.658 24.557 8.076 1.00 61.11 C ATOM 1207 CD PRO A 425 -7.323 23.424 7.119 1.00 4.33 C ATOM 0 HA PRO A 425 -10.219 22.501 8.368 1.00 45.31 H new ATOM 0 HB2 PRO A 425 -9.650 25.198 8.630 1.00 22.40 H new ATOM 0 HB3 PRO A 425 -8.984 23.965 9.682 1.00 22.40 H new ATOM 0 HG2 PRO A 425 -7.635 25.515 7.557 1.00 61.11 H new ATOM 0 HG3 PRO A 425 -6.921 24.611 8.877 1.00 61.11 H new ATOM 0 HD2 PRO A 425 -7.072 23.804 6.128 1.00 4.33 H new ATOM 0 HD3 PRO A 425 -6.463 22.852 7.468 1.00 4.33 H new ATOM 1215 N PHE A 426 -11.818 24.164 7.292 1.00 72.22 N ATOM 1216 CA PHE A 426 -12.876 24.709 6.458 1.00 34.53 C ATOM 1217 C PHE A 426 -12.530 26.122 5.987 1.00 51.34 C ATOM 1218 O PHE A 426 -13.131 26.629 5.041 1.00 43.44 O ATOM 1219 CB PHE A 426 -14.139 24.766 7.320 1.00 54.22 C ATOM 1220 CG PHE A 426 -15.176 25.782 6.837 1.00 54.24 C ATOM 1221 CD1 PHE A 426 -15.731 25.653 5.601 1.00 3.14 C ATOM 1222 CD2 PHE A 426 -15.544 26.814 7.642 1.00 3.52 C ATOM 1223 CE1 PHE A 426 -16.693 26.596 5.153 1.00 50.00 C ATOM 1224 CE2 PHE A 426 -16.506 27.758 7.194 1.00 70.52 C ATOM 1225 CZ PHE A 426 -17.060 27.628 5.959 1.00 53.34 C ATOM 0 H PHE A 426 -12.038 24.122 8.287 1.00 72.22 H new ATOM 0 HA PHE A 426 -13.013 24.085 5.575 1.00 34.53 H new ATOM 0 HB2 PHE A 426 -14.597 23.777 7.342 1.00 54.22 H new ATOM 0 HB3 PHE A 426 -13.857 25.009 8.344 1.00 54.22 H new ATOM 0 HD1 PHE A 426 -15.440 24.833 4.961 1.00 3.14 H new ATOM 0 HD2 PHE A 426 -15.104 26.916 8.623 1.00 3.52 H new ATOM 0 HE1 PHE A 426 -17.133 26.494 4.172 1.00 50.00 H new ATOM 0 HE2 PHE A 426 -16.797 28.578 7.834 1.00 70.52 H new ATOM 0 HZ PHE A 426 -17.792 28.345 5.618 1.00 53.34 H new